SCHEMBL9826415

SCHEMBL9826415

CCOC(=O)c1ccc(CBr)cc1OC

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 1/20 0.62
CYP4A11 Q02928 1/20 0.62
SMN1; SMN2 Q16637 4/20 0.49
LMNA P02545 4/20 0.49
GAA P10253 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
HSD17B2 P37059 1/20 0.47
CA12 O43570 3/20 0.46
CA1 P00915 3/20 0.46
CA2 P00918 3/20 0.46
CA9 Q16790 3/20 0.46
CA7 P43166 1/20 0.46
CA14 Q9ULX7 1/20 0.46
TSHR P16473 1/20 0.46
PPARG P37231 1/20 0.46
PPARA Q07869 1/20 0.46
MAPT P10636 3/20 0.45
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
KDM4E B2RXH2 1/20 0.45

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
SCHEMBL29196250 0.89 SMN1; SMN2 (0.52) CYP4F2CYP4A11SMN1; SMN2LMNAGAA
SCHEMBL9828113 0.89 CYP4F2 (0.51) CYP4F2CYP4A11SMN1; SMN2LMNAGAA
SCHEMBL1515826 0.88 CYP4F2 (0.62) CYP4F2CYP4A11SMN1; SMN2LMNAGAA
SCHEMBL4052165 0.88 CYP4F2 (0.67) CYP4F2CYP4A11SMN1; SMN2LMNAGAA
SCHEMBL2772618 0.86 HTT (0.48) CYP4F2CYP4A11SMN1; SMN2LMNAGAA
SCHEMBL9417955 0.85 CYP4F2 (0.59) CYP4F2CYP4A11SMN1; SMN2LMNAGAA
SCHEMBL29196231 0.85 PPARG (0.56) SMN1; SMN2LMNAGAATDP1HSD17B2
SCHEMBL7410301 0.83 CYP4F2 (0.68) CYP4F2CYP4A11SMN1; SMN2LMNAGAA
SCHEMBL11012998 0.82 TAAR1 (0.56) SMN1; SMN2LMNAGAATDP1HSD17B2
SCHEMBL29196254 0.82 SMN1; SMN2 (0.47) CYP4F2CYP4A11SMN1; SMN2LMNAGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0150892-B1 SUBSTITUTED ALKYLIDENE IMIDAZOLES G.D. Searle & Co. (US) 1991-04-24 EP disclosed
US-4837333-A SELECTIVE INHIBITOR OF THROMBOXANE SYNTHETASE ENZYME G. D. SEARLE & CO. (US) 1989-06-06 US disclosed
EP-0150892-A2 Substituted alkylidene imidazoles G.D. Searle & Co. (US) 1985-08-07 EP disclosed