SCHEMBL7825219

SCHEMBL7825219

COc1ccc(CSC2(C(=O)O)Cc3cscc3C2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.41
LDHA P00338 1/20 0.39
EPHX1 P07099 1/20 0.39
IDO1 P14902 2/20 0.38
TP53 P04637 3/20 0.38
ALDH1A1 P00352 4/20 0.37
KDM4E B2RXH2 2/20 0.37
HPGD P15428 1/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
MAPT P10636 1/20 0.36
HTT P42858 1/20 0.36
GLA P06280 1/20 0.36
GAA P10253 1/20 0.36
MAPK1 P28482 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
POLB P06746 1/20 0.36
CTBP2 P56545 1/20 0.36

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
SCHEMBL7828521 0.89 TP53 (0.39) FFAR1IDO1TP53ALDH1A1SMN1; SMN2
SCHEMBL7828984 0.87 EPHX1 (0.46) LDHAEPHX1IDO1TP53SMN1; SMN2
SCHEMBL7824133 0.85 LDHA (0.39) FFAR1LDHAEPHX1IDO1TP53
SCHEMBL8823362 0.82 LDHA (0.46) FFAR1LDHAEPHX1IDO1SMN1; SMN2
SCHEMBL7827231 0.80 LDHA (0.44) FFAR1LDHAEPHX1IDO1ALDH1A1
SCHEMBL7825227 0.80 LDHA (0.39) FFAR1LDHAEPHX1IDO1TP53
SCHEMBL812289 0.79 MAPT (0.45) FFAR1LDHAEPHX1IDO1ALDH1A1
SCHEMBL7816648 0.77 KDM1A (0.40) FFAR1LDHAEPHX1TP53ALDH1A1
SCHEMBL7831583 0.75 HTT (0.45) EPHX1IDO1ALDH1A1SMN1; SMN2MAPT
SCHEMBL769100 0.74 SMN1; SMN2 (0.43) FFAR1LDHAEPHX1IDO1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0745081-B1 INDANE-2-MERCAPTOACETYLAMIDE DISULFIDE DERIVATIVES USEFUL AS INHIBITORS OF ENKEPHALINASE MERRELL PHARMA INC (US) 2001-11-21 EP disclosed
EP-0656001-B1 NOVEL 2-SUBSTITUTED INDANE-2-MERCAPTOACETYLAMIDE TRICYCLIC DERIVATIVES USEFUL AS INHIBITORS OF ENKEPHALINASE MERRELL PHARMA INC (US) 1999-09-15 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-5604221-A Indane-2-mercaptoacetylamide disulfide derivatives useful as inhibitors of enkephalinase MERRELL PHARMACEUTICALS INC. (US) 1997-02-18 US disclosed
EP-0745081-A1 NOVEL INDANE-2-MERCAPTOACETYLAMIDE DISULFIDE DERIVATIVES USEFUL AS INHIBITORS OF ENKEPHALINASE MERRELL PHARMACEUTICALS INC. (US) 1996-12-04 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-5491142-A 2-substituted indane-2-mercaptoacetylamide tricyclic derivatives useful as inhibitors of enkephalinase MERRELL DOW PHARMACEUTICALS INC. (US) 1996-02-13 US disclosed
US-5491141-A ENZYME INHIBITORS, HYPERTENSIVE AGENTS; TREATING DIURETIC, CONGESTIVE HEART FAILURE, ALDOSTERONISM, RENAL DISEASES, GLAUCOMA MERRELL DOW PHARMACEUTICALS INC. (US) 1996-02-13 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
WO-1995021840-A1 NOVEL INDANE-2-MERCAPTOACETYLAMIDE DISULFIDE DERIVATIVES USEFUL AS INHIBITORS OF ENKEPHALINASE MERRELL PHARMACEUTICALS INC. (US) 1995-08-17 WO 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-0656001-A1 NOVEL 2-SUBSTITUTED INDANE-2-MERCAPTOACETYLAMIDE TRICYCLIC DERIVATIVES USEFUL AS INHIBITORS OF ENKEPHALINASE MERRELL PHARMACEUTICALS INC. (US) 1995-06-07 EP disclosed
US-5420271-A Analgesics, cardiovascular disorders, diuretics or hypoaldosteronemic agents MERRELL DOW PHARMACEUTICALS, INC. (US) 1995-05-30 US disclosed
WO-1994004531-A1 NOVEL 2-SUBSTITUTED INDANE-2-MERCAPTOACETYLAMIDE TRICYCLIC DERIVATIVES USEFUL AS INHIBITORS OF ENKEPHALINASE MERRELL DOW PHARMACEUTICALS INC. (US) 1994-03-03 WO 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