SCHEMBL9621096

SCHEMBL9621096

C=CCc1c(OCCCBr)ccc(C(C)=O)c1O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 2/20 0.46
PPARD Q03181 2/20 0.46
PPARA Q07869 2/20 0.46
LMNA P02545 2/20 0.46
CYP1A2 P05177 1/20 0.46
MAPT P10636 1/20 0.46
CYP2C9 P11712 1/20 0.46
NFKB1 P19838 1/20 0.46
BLM P54132 1/20 0.46
GRM2 Q14416 1/20 0.46
CYSLTR2 Q9NS75 15/20 0.46
CYSLTR1 Q9Y271 15/20 0.46
MEN1 O00255 1/20 0.43
GLA P06280 1/20 0.43
CYP3A4 P08684 1/20 0.43
ALOX5 P09917 1/20 0.43
ALOX15 P16050 1/20 0.43
TSHR P16473 1/20 0.43
PTGS1 P23219 1/20 0.43
PTGS2 P35354 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
SCHEMBL6936909 0.88 PPARG (0.43) PPARGPPARDPPARALMNACYP1A2
SCHEMBL10691810 0.84 CYSLTR2 (0.63) PPARGPPARDPPARALMNACYP1A2
SCHEMBL10691645 0.84 PPARG (0.53) PPARGPPARDPPARALMNACYP1A2
SCHEMBL11047621 0.83 PPARG (0.46) PPARGPPARDPPARALMNACYP1A2
SCHEMBL4343526 0.82 PPARG (0.67) PPARGPPARDPPARALMNACYP1A2
SCHEMBL3958076 0.81 MAPT (0.49) PPARGPPARDPPARALMNAMAPT
SCHEMBL10920716 0.80 CYSLTR2 (0.50) PPARGPPARDPPARALMNACYP1A2
SCHEMBL9777348 0.80 PPARG (0.42) PPARGPPARDPPARALMNACYP1A2
SCHEMBL10921520 0.79 CYSLTR2 (0.48) PPARGPPARDPPARALMNACYP1A2
SCHEMBL10925330 0.79 CYSLTR2 (0.48) PPARGPPARDPPARALMNACYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0232820-B1 THIOETHERS, PROCESS FOR THEIR PREPARATION AND MEDICAMENTS CONTAINING THEM Roche Diagnostics GmbH (DE) 1992-01-08 EP disclosed
US-5025028-A Asthma BOEHRINGER MANNHEIM GMBH (DE) 1991-06-18 US disclosed
US-4906666-A Hydroxamic acids and pharmaceutical compositions containing them, and anti-allergic use thereof BOEHRINGER MANNHEIM GMBH (DE) 1990-03-06 US disclosed
EP-0232820-A2 Thioethers, process for their preparation and medicaments containing them Roche Diagnostics GmbH (DE) 1987-08-19 EP disclosed
US-4621098-A Thioethers and pharmaceutical compositions containing them BOEHRINGER MANNHEIM GMBH (DE) 1986-11-04 US disclosed