SCHEMBL7572233

SCHEMBL7572233

CC(C)(C)OC(=O)C1CSC(c2ccccc2)N1C(=O)CNC(=O)Nc1cccc(C(=O)O)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.42
▸ POLB P06746 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ CASR P41180 2/20 0.39
▸ HSD17B10 Q99714 1/20 0.38
▸ CCKBR P32239 2/20 0.38
▸ CA12 O43570 1/20 0.38
▸ CA2 P00918 1/20 0.38
▸ CA9 Q16790 1/20 0.38
▸ NPC1 O15118 4/20 0.37
▸ RAB9A P51151 4/20 0.37
▸ MITF O75030 2/20 0.37
▸ PAX8 Q06710 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ EPHX2 P34913 2/20 0.35
▸ PRMT5 O14744 1/20 0.35
▸ WDR77 Q9BQA1 1/20 0.35

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
SCHEMBL5276625 1.00 MEN1 (0.42) MEN1POLBKMT2AALDH1A1CASR
SCHEMBL8871357 0.94 EPHX2 (0.40) MEN1POLBKMT2AALDH1A1CASR
SCHEMBL8870863 0.94 CA12 (0.38) MEN1POLBKMT2AALDH1A1CASR
SCHEMBL8870865 0.94 CA12 (0.38) MEN1POLBKMT2AALDH1A1CASR
SCHEMBL8871351 0.94 EPHX2 (0.40) MEN1POLBKMT2AALDH1A1CASR
SCHEMBL8870861 0.93 CNR1 (0.42) MEN1POLBKMT2AALDH1A1CASR
SCHEMBL8870858 0.93 CNR1 (0.42) MEN1POLBKMT2AALDH1A1CASR
SCHEMBL8871337 0.92 NPC1 (0.46) MEN1POLBKMT2AALDH1A1CASR
SCHEMBL8871339 0.92 NPC1 (0.46) MEN1POLBKMT2AALDH1A1CASR
SCHEMBL8870982 0.92 MEN1 (0.39) MEN1POLBKMT2AALDH1A1CASR

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-0828486-B1 USE OF PYRROLIDINE DERIVATIVES FOR TREATING ALCOHOLISM AVENTIS PHARMA SA (FR) 2002-09-18 — — EP claimed
EP-0593639-B1 PYRROLIDINE AND THIAZOLIDINE DERIVATIVES, PREPARATION THEREOF AND DRUGS CONTAINING SAME RHONE POULENC RORER SA (FR) 1995-04-05 — — EP claimed
US-6150387-A Heterocyclic carboxamide compounds effective in the treatment of drug abuse RHONE-POULENC RORER S.A. (FR) 2000-11-21 — — US disclosed
US-5610144-A CHOLECYSTOKININ OR GASTRIN ANTAGONISTS; NERVOUS SYSTEM AND GASTROINTESTINAL DISORDERS RHONE-POULENC RORER S.A. (FR) 1997-03-11 — — US disclosed
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