SCHEMBL7280980

SCHEMBL7280980

C=CCCC(NC(=O)C(Cc1ccccc1)N1C(=O)c2ccccc2C1=O)C(=O)O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.57
GAA P10253 1/20 0.57
POLB P06746 4/20 0.52
L3MBTL1 Q9Y468 2/20 0.52
KMT2A Q03164 5/20 0.52
MEN1 O00255 4/20 0.52
PKM P14618 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
AADAT Q8N5Z0 1/20 0.47
TSHR P16473 1/20 0.46
SDCBP O00560 1/20 0.46
SDC2 P34741 1/20 0.46
HPGD P15428 2/20 0.45
DUSP3 P51452 1/20 0.45
PTPN5 P54829 1/20 0.45
PTPN11 Q06124 1/20 0.45
KDM4E B2RXH2 1/20 0.44
TP53 P04637 1/20 0.44
GLA P06280 1/20 0.44
CYP3A4 P08684 1/20 0.44

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7280949 1.00 ALDH1A1 (0.57) ALDH1A1GAAPOLBL3MBTL1KMT2A
SCHEMBL7280961 1.00 ALDH1A1 (0.57) ALDH1A1GAAPOLBL3MBTL1KMT2A
SCHEMBL7272829 0.94 ALDH1A1 (0.55) ALDH1A1GAAPOLBL3MBTL1KMT2A
SCHEMBL9084021 0.86 ALDH1A1 (0.56) ALDH1A1GAAPOLBL3MBTL1KMT2A
SCHEMBL9084034 0.86 ALDH1A1 (0.56) ALDH1A1GAAPOLBL3MBTL1KMT2A
SCHEMBL7281721 0.84 ALDH1A1 (0.54) ALDH1A1GAAPOLBL3MBTL1KMT2A
SCHEMBL7274235 0.83 ALDH1A1 (0.66) ALDH1A1GAAPOLBL3MBTL1KMT2A
SCHEMBL7281365 0.83 ALDH1A1 (0.59) ALDH1A1GAAPOLBL3MBTL1KMT2A
SCHEMBL7281335 0.83 ALDH1A1 (0.59) ALDH1A1GAAPOLBL3MBTL1KMT2A
SCHEMBL7281322 0.83 ALDH1A1 (0.59) ALDH1A1GAAPOLBL3MBTL1KMT2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0481522-B1 Novel mercaptoacetylamide derivatives useful as inhibitors of enkephalinase and ace MERRELL PHARMA INC (US) 1997-12-29 EP disclosed
EP-0534363-B1 Novel 2-substituted indane-2-mercaptoacetylamide derivatives useful as inhibitors of enkephalinase and ace MERRELL PHARMA INC (US) 1997-07-09 EP disclosed
US-5591739-A 2-substituted indane-2-carboxyalkyl derivatives useful as inhibitors of enkephalinase and ACE MERRELL PHARMACEUTICALS INC. (US) 1997-01-07 US disclosed
EP-0534492-B1 Carboxyalkyl substituted inhibitors of enkephalinase and ACE MERRELL PHARMA INC (US) 1996-12-18 EP disclosed
EP-0534396-B1 2-Substituted indane-2-carboxyalkyl derivatives useful as inhibitors of enkephalinase and ace MERRELL PHARMA INC (US) 1996-10-09 EP disclosed
US-5529997-A ADMINISTERING FOR ANALGESIC, HYPOTENSIVE OR DIURETIC EFFECT OR TO TREAT CONGESTIVE HEART FAILURE OR IRRITABLE BOWEL SYNDROME MERRELL PHARMACEUTICALS INC. (US) 1996-06-25 US disclosed
US-5529996-A USEFUL FOR CONGESTIVE HEART FAILURE, DIURETIC EFFECT, IRRITABLE BOWL MOVEMENT, ENDORPHIN OR ENKEPHALIN MEDIATED ANALGESIC EFFECTS AND ALSO HYPOTENSIVE AGENT MERRELL DOW PHARMACEUTICALS INC. (US) 1996-06-25 US disclosed
US-5527795-A Mercaptoacetylamide derivatives useful as inhibitors of enkephalinase and ace MERRELL PHARMACEUTICALS INC. (US) 1996-06-18 US disclosed
US-5491143-A Mercaptoacetylamide derivatives useful as inhibitors of enkephalinase and ACE MERRELL DOW PHARMACEUTICALS INC. (US) 1996-02-13 US disclosed
US-5488047-A HYPOTENSIVE AGENTS, ANALGESICS; CONGESTIVE HEART FAILURE MERRELL DOW PHARMACEUTICALS INC. (US) 1996-01-30 US disclosed
US-5472959-A Hypotensive agents, congestive heart failure MERRELL DOW PHARMACEUTICALS INC. (US) 1995-12-05 US disclosed
US-5457196-A Analgesics, hypotensive agents MERRELL DOW PHARMACEUTICALS INC. (US) 1995-10-10 US disclosed
US-5455242-A Analgesics, hypotensive or cardiotonic agents, diuretics, antidepressants or suppressors of vascular response after angioplasty MERRELL DOW PHARMACEUTICALS INC. (US) 1995-10-03 US disclosed
US-5430145-A Analgesics, reduction of drug withdrawal symptoms, hypotensive agents MERRELL DOW PHARMACEUTICALS INC. (US) 1995-07-04 US disclosed
US-5428158-A 2-substituted indane-2-mercaptoacetylamide derivatives useful as inhibitors of enkephalinase and ace MERRELL DOW PHARMACEUTICALS INC. (US) 1995-06-27 US disclosed
EP-0534396-A2 2-Substituted indane-2-carboxyalkyl derivatives useful as inhibitors of enkephalinase and ace MERRELL PHARMACEUTICALS INC. (US) 1993-03-31 EP disclosed
EP-0534492-A2 Carboxyalkyl substituted inhibitors of enkephalinase and ACE MERRELL PHARMACEUTICALS INC. (US) 1993-03-31 EP disclosed
EP-0534363-A2 Novel 2-substituted indane-2-mercaptoacetylamide derivatives useful as inhibitors of enkephalinase and ace MERRELL PHARMACEUTICALS INC. (US) 1993-03-31 EP disclosed
EP-0481522-A1 Novel mercaptoacetylamide derivatives useful as inhibitors of enkephalinase and ace MERRELL PHARMACEUTICALS INC. (US) 1992-04-22 EP disclosed
EP-0249224-A2 Novel antihypertensive agent MERRELL DOW PHARMACEUTICALS INC. (US) 1987-12-16 EP disclosed