SCHEMBL9828113

SCHEMBL9828113

CCOC(=O)c1ccc(CBr)cc1OC.c1ccc(P(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 1/20 0.51
CYP4A11 Q02928 1/20 0.51
TSHR P16473 2/20 0.43
MAPT P10636 5/20 0.43
KMT2A Q03164 3/20 0.43
ALOX15 P16050 2/20 0.43
MEN1 O00255 2/20 0.43
USP2 O75604 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
MAPK10 P53779 1/20 0.43
PTK2B Q14289 1/20 0.43
NCOA1 Q15788 1/20 0.43
NCOA3 Q9Y6Q9 1/20 0.43
RAB9A P51151 2/20 0.42
NPC1 O15118 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
LMNA P02545 2/20 0.42

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
SCHEMBL9826415 0.89 CYP4F2 (0.62) CYP4F2CYP4A11TSHRMAPTKMT2A
SCHEMBL9827680 0.84 CYP4F2 (0.62) CYP4F2CYP4A11TSHRMAPTALOX15
SCHEMBL29196250 0.79 SMN1; SMN2 (0.52) CYP4F2CYP4A11TSHRMAPTKMT2A
SCHEMBL1515826 0.78 CYP4F2 (0.62) CYP4F2CYP4A11TSHRMAPTKMT2A
SCHEMBL4052165 0.78 CYP4F2 (0.67) CYP4F2CYP4A11TSHRMAPTRAB9A
SCHEMBL2772618 0.76 HTT (0.48) CYP4F2CYP4A11TSHRMAPTKMT2A
SCHEMBL9417955 0.76 CYP4F2 (0.59) CYP4F2CYP4A11TSHRMAPTKMT2A
SCHEMBL29196231 0.75 PPARG (0.56) TSHRMAPTKMT2ARAB9ANPC1
Bromide SCHEMBL9827145 0.75 TSHR (0.44) TSHRMAPTKMT2AALOX15MEN1
SCHEMBL506455 0.74 PPARG (0.61) CYP4F2CYP4A11TSHRMAPTKMT2A

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