SCHEMBL6605749

SCHEMBL6605749

ClCCSc1ccc(Cl)s1

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 1/20 0.38
GSK3B P49841 1/20 0.35
CA2 P00918 4/20 0.33
TSHR P16473 1/20 0.31
F2 P00734 1/20 0.30
DAO P14920 1/20 0.30
CA12 O43570 1/20 0.30
CA1 P00915 1/20 0.30
CA9 Q16790 1/20 0.30

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
SCHEMBL8440757 0.69 LTA4H (0.45) TSHR
SCHEMBL7012376 0.67
SCHEMBL12514565 0.67
SCHEMBL3845036 0.65 CA2 (0.36) GSK3BCA2
SCHEMBL14264674 0.65 SMN1; SMN2 (0.38) CA2TSHR
SCHEMBL6605180 0.65
SCHEMBL5848182 0.63 ALDH1A1 (0.48) CA2TSHRCA12CA1
SCHEMBL6605867 0.61
SCHEMBL1274257 0.61 TEAD1 (0.53) TSHR
SCHEMBL3566978 0.60

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-1218370-B1 QUINOLYL PROPYL PIPERIDINE DERIVATIVES AND THEIR USE AS ANTIBACTERIAL AGENTS AVENTIS PHARMA SA (FR) 2004-12-08 EP disclosed
EP-1218370-A2 QUINOLYL PROPYL PIPERIDINE DERIVATIVES AND THEIR USE AS ANTIBACTERIAL AGENTS Aventis Pharma S.A. (FR) 2002-07-03 EP disclosed
US-6403610-B1 ANTIMICROBIAL AGENTS AVENTIS PHARMA S.A. (FR) 2002-06-11 US disclosed
WO-2001025227-A2 QUINOLYL PROPYL PIPERIDINE DERIVATIVES AND THEIR USE AS ANTIBACTERIAL AGENTS AVENTIS PHARMA S.A. (FR) 2001-04-12 WO disclosed