SCHEMBL7283104

SCHEMBL7283104

C=CCC1C(=O)N(Cc2ccc(OC)cc2)CC1COS(C)(=O)=O

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ PKM P14618 1/20 0.43
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ GRM2 Q14416 1/20 0.39
▸ SIGMAR1 Q99720 1/20 0.39
▸ MMP1 P03956 1/20 0.38
▸ MMP13 P45452 1/20 0.38
▸ GAA P10253 1/20 0.37
▸ APLNR P35414 1/20 0.37
▸ CACNA1S Q13698 1/20 0.36
▸ CMA1 P23946 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
SCHEMBL7280963 0.84 PKM (0.46) PKMMEN1KMT2AGRM2SIGMAR1
SCHEMBL7283527 0.84 PKM (0.48) PKMMEN1KMT2AGRM2SIGMAR1
SCHEMBL7275891 0.80 MEN1 (0.46) PKMMEN1KMT2AGRM2SIGMAR1
SCHEMBL7284815 0.79 GRIN1 (0.43) PKMMEN1KMT2AGRM2
SCHEMBL7274135 0.78 CASP3 (0.48) PKMMEN1KMT2AGAA
SCHEMBL7282108 0.76 APLNR (0.38) MEN1KMT2ASIGMAR1APLNRCMA1
SCHEMBL7281681 0.73 SIGMAR1 (0.40) GRM2SIGMAR1MMP1MMP13GAA
SCHEMBL7276393 0.71 PKM (0.42) PKMMEN1KMT2A
SCHEMBL29136262 0.70 GRM2 (0.50) MEN1KMT2AGRM2SIGMAR1MMP1
SCHEMBL16876227 0.69 HCRTR1 (0.42) MEN1KMT2AGRM2MMP1APLNR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0483667-B1 Cyclic imino derivatives, process for their preparation and drugs containing them THOMAE GMBH DR K (DE) 1998-02-04 — — EP disclosed
US-5591769-A PYRROLIDINE DERIVATIVES; ANTICOAGULANTS KARL THOMAE GMBH (DE) 1997-01-07 — — US disclosed
US-5541343-A ANTIAGGLOMERANTS FOR CELLS OR ANTICOAGULANTS KARL THOMAE GMBH (DE) 1996-07-30 — — US disclosed
EP-0483667-A2 Cyclic imino derivatives, process for their preparation and drugs containing them Dr. Karl Thomae GmbH (DE) 1992-05-06 — — EP disclosed
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