SCHEMBL3944498

SCHEMBL3944498

O=C1CC=Nc2ccsc21

nearest known ligand 0.35

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CES1 P23141 1/20 0.35
PTPRC P08575 1/20 0.31

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
SCHEMBL2925217 0.73
SCHEMBL169947 0.68 CES1 (0.35) CES1PTPRC
SCHEMBL12951002 0.65 HRH1 (0.35) CES1
SCHEMBL13734481 0.65
SCHEMBL31116 0.63 MEN1 (0.35) CES1PTPRC
Hydrochloric Acid SCHEMBL3397921 0.61 MEN1 (0.33) CES1PTPRC
SCHEMBL384425 0.61 CES1 (0.37) CES1PTPRC
SCHEMBL1020681 0.59 TDP2 (0.41) CES1PTPRC
SCHEMBL11491913 0.59 CES1 (0.43) CES1PTPRC
SCHEMBL3714160 0.59 MAOA (0.38)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1730145-A1 ALPHA-TRIFLUOROMETHYL ALCOHOLS OR AMINES AS GLUCOCORTICOID MIMETICS BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2006-12-13 EP claimed
WO-2005095401-A1 ALPHA-TRIFLUOROMETHYL ALCOHOLS OR AMINES AS GLUCOCORTICOID MIMETICS BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2005-10-13 WO claimed
EP-2051710-A2 COMPOSITIONS AND METHODS FOR TREATING, REDUCING, AMELIORATING, OR ALLEVIATING POSTERIOR-SEGMENT OPHTHALMIC DISEASES Bausch & Lomb Incorporated (US) 2009-04-29 EP disclosed
WO-2008021729-A2 COMPOSITIONS AND METHODS FOR TREATING, REDUCING, AMELIORATING, OR ALLEVIATING POSTERIOR-SEGMENT OPHTHALMIC DISEASES BAUSCH & LOMB INCORPORATED (US) 2008-02-21 WO disclosed
EP-1028964-A1 THIENOPYRIMIDINE AND THIENOPYRIDINE DERIVATIVES USEFUL AS ANTICANCER AGENTS Pfizer Products Inc. (US) 2000-08-23 EP disclosed
WO-1999024440-A1 THIENOPYRIMIDINE AND THIENOPYRIDINE DERIVATIVES USEFUL AS ANTICANCER AGENTS PFIZER PRODUCTS INC. (US) 1999-05-20 WO disclosed