SCHEMBL6990924

SCHEMBL6990924

O=C(S)[C@H](Cc1ccccc1)C(=O)c1ccccc1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MDM2 Q00987 1/20 0.79
CYP1A2 P05177 1/20 0.47
CTRB1 P17538 3/20 0.46
CTNNB1 P35222 1/20 0.46
KMT2A Q03164 1/20 0.46
CPA3 P15088 2/20 0.46
FOLH1 Q04609 1/20 0.46
ALPI P09923 1/20 0.44
PKM P14618 1/20 0.44
PTGS1 P23219 1/20 0.44
XIAP P98170 1/20 0.44
SLC7A5 Q01650 1/20 0.44
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA3 P07451 1/20 0.43
CA4 P22748 1/20 0.43
CA6 P23280 1/20 0.43
CA5A P35218 1/20 0.43
CA7 P43166 1/20 0.43

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
SCHEMBL7164409 1.00 MDM2 (0.79) MDM2CYP1A2CTRB1CTNNB1KMT2A
SCHEMBL11713368 0.88 MDM2 (1.00) MDM2CYP1A2CTRB1CTNNB1KMT2A
SCHEMBL3355858 0.86 MDM2 (0.88) MDM2CYP1A2CTNNB1KMT2ACPA3
SCHEMBL7037701 0.86 MDM2 (0.88) MDM2CYP1A2CTNNB1KMT2ACPA3
SCHEMBL7164412 0.83 MDM2 (0.81) MDM2CYP1A2CTRB1CTNNB1KMT2A
SCHEMBL6990929 0.83 MDM2 (0.81) MDM2CYP1A2CTRB1CTNNB1KMT2A
SCHEMBL6990936 0.83 MDM2 (0.81) MDM2CYP1A2CTRB1CTNNB1KMT2A
SCHEMBL2138695 0.81 MDM2 (0.79) MDM2CYP1A2CTRB1CTNNB1KMT2A
SCHEMBL9242408 0.81 MDM2 (0.79) MDM2CYP1A2CTRB1CTNNB1KMT2A
SCHEMBL7274785 0.79 MDM2 (0.53) MDM2CYP1A2CTRB1CPA3FOLH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0641343-B1 4-MERCAPTOACETYLAMINO-[2] BENZAZEPINONE(3) DERIVATIVES, AND USE AS ENKEPHALINASE INHIBITORS MERRELL PHARMA INC (US) 2003-06-25 EP disclosed
EP-0481522-B1 Novel mercaptoacetylamide derivatives useful as inhibitors of enkephalinase and ace MERRELL PHARMA INC (US) 1997-12-29 EP 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-5430145-A Analgesics, reduction of drug withdrawal symptoms, hypotensive agents MERRELL DOW PHARMACEUTICALS INC. (US) 1995-07-04 US disclosed
EP-0641343-A1 4-MERCAPTOACETYLAMINO- 2] BENZAZEPINONE(3) DERIVATIVES, AND USE AS ENKEPHALINASE INHIBITORS MERRELL PHARMACEUTICALS INC. (US) 1995-03-08 EP disclosed
WO-1993023397-A1 4-MERCAPTOACETYLAMINO-[2] BENZAZEPINONE(3) DERIVATIVES, AND USE AS ENKEPHALINASE INHIBITORS MERRELL DOW PHARMACEUTICALS INC. (US) 1993-11-25 WO disclosed
US-5238932-A Mercaptoacetylamide tricyclic derivatives useful as inhibitors of enkephalinase MERRELL DOW PHARMACEUTICALS INC. (US) 1993-08-24 US disclosed
EP-0481522-A1 Novel mercaptoacetylamide derivatives useful as inhibitors of enkephalinase and ace MERRELL PHARMACEUTICALS INC. (US) 1992-04-22 EP disclosed