SCHEMBL8823352

SCHEMBL8823352

CCOC(=O)C1(SCc2ccc(OC)cc2)CCCCC1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.46
KMT2A Q03164 6/20 0.46
LMNA P02545 3/20 0.44
POLB P06746 2/20 0.44
MEN1 O00255 4/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
MAPT P10636 2/20 0.42
GLA P06280 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.41
PKM P14618 1/20 0.40
CTSK P43235 1/20 0.40
TP53 P04637 1/20 0.40

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
SCHEMBL8823363 0.93 KMT2A (0.49) ALDH1A1KMT2ALMNAPOLBMEN1
SCHEMBL7827049 0.87 MAPT (0.45) ALDH1A1KMT2APOLBMEN1SMN1; SMN2
SCHEMBL812289 0.84 MAPT (0.45) ALDH1A1KMT2AMEN1SMN1; SMN2MAPT
SCHEMBL8392375 0.83 MAPT (0.44) ALDH1A1KMT2AMEN1SMN1; SMN2MAPT
SCHEMBL7827231 0.82 LDHA (0.44) ALDH1A1KMT2APOLBSMN1; SMN2MAPT
SCHEMBL7825644 0.80 ALDH1A1 (0.46) ALDH1A1KMT2ALMNAPOLBMEN1
SCHEMBL8823362 0.76 LDHA (0.46) POLBSMN1; SMN2L3MBTL1
SCHEMBL6627953 0.76 ALDH1A1 (0.70) ALDH1A1KMT2ALMNAPOLBMEN1
SCHEMBL9670773 0.75 ALDH1A1 (0.41) ALDH1A1KMT2ALMNAPOLBMEN1
SCHEMBL8400177 0.75 L3MBTL1 (0.38) ALDH1A1KMT2ALMNAPOLBMEN1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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-5486513-A 2-substituted indane-2-mercaptoacetylamide derivatives useful as inhibitors or enkephalinase and ace MERRELL DOW PHARMACEUTICALS INC. (US) 1996-01-23 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-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