SCHEMBL7816648

SCHEMBL7816648

COc1ccc(CSC2(C(=O)O)Cc3cn(C(=O)OC(C)(C)C)cc3C2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.40
PPARG P37231 1/20 0.39
PPARA Q07869 1/20 0.39
MAPT P10636 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
LMNA P02545 2/20 0.38
ALDH1A1 P00352 3/20 0.36
MCL1 Q07820 1/20 0.35
EPHX1 P07099 1/20 0.34
MMP1 P03956 3/20 0.34
MMP3 P08254 3/20 0.34
MMP7 P09237 3/20 0.34
MMP9 P14780 3/20 0.34
MMP8 P22894 3/20 0.34
MMP13 P45452 3/20 0.34
MMP2 P08253 2/20 0.34
STS P08842 1/20 0.34
TP53 P04637 1/20 0.33
CTSD P07339 1/20 0.33
CTSE P14091 1/20 0.33

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
SCHEMBL7829029 0.91 KDM1A (0.40) KDM1APPARGPPARAMAPTSMN1; SMN2
SCHEMBL7829414 0.81 KDM1A (0.48) KDM1APPARGPPARAMAPTSMN1; SMN2
SCHEMBL7828984 0.79 EPHX1 (0.46) MAPTSMN1; SMN2MCL1EPHX1MMP1
SCHEMBL7827982 0.78 PPARG (0.38) KDM1APPARGPPARAMAPTSMN1; SMN2
SCHEMBL7824133 0.77 LDHA (0.39) MAPTSMN1; SMN2ALDH1A1EPHX1TP53
SCHEMBL7825219 0.77 FFAR1 (0.41) MAPTSMN1; SMN2ALDH1A1EPHX1TP53
SCHEMBL8823362 0.75 LDHA (0.46) SMN1; SMN2EPHX1FFAR1LDHA
SCHEMBL25183514 0.73 LMNA (0.49) KDM1AMAPTSMN1; SMN2LMNAALDH1A1
SCHEMBL7827231 0.72 LDHA (0.44) MAPTSMN1; SMN2ALDH1A1EPHX1FFAR1
SCHEMBL7825227 0.72 LDHA (0.39) MAPTSMN1; SMN2ALDH1A1EPHX1TP53

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