SCHEMBL9827680

SCHEMBL9827680

CCOC(=O)c1ccc(CBr)cc1Cl.c1ccc(P(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 1/20 0.62
CYP4A11 Q02928 1/20 0.62
TSHR P16473 3/20 0.44
TP53 P04637 1/20 0.42
ALDH1A1 P00352 3/20 0.41
HSD17B10 Q99714 2/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
HPGD P15428 1/20 0.41
ALOX15 P16050 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
BAZ2B Q9UIF8 1/20 0.40
BAZ2A Q9UIF9 1/20 0.40
KDM4E B2RXH2 2/20 0.40
CHRM2 P08172 1/20 0.39
CHRM3 P20309 1/20 0.39
MAOA P21397 1/20 0.39
HTR2C P28335 1/20 0.39
CHRNA4 P43681 1/20 0.39

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
SCHEMBL6971203 0.88 CYP4F2 (0.78) CYP4F2CYP4A11TSHRMAPTRAB9A
SCHEMBL9828113 0.84 CYP4F2 (0.51) CYP4F2CYP4A11TSHRALDH1A1HSD17B10
SCHEMBL10003354 0.78 CYP4F2 (0.60) CYP4F2CYP4A11TSHRALDH1A1HSD17B10
SCHEMBL27318143 0.78 CYP4F2 (0.61) CYP4F2CYP4A11TSHRMAPTRAB9A
SCHEMBL22098189 0.77 CYP4F2 (1.00) CYP4F2CYP4A11TSHRALDH1A1HPGD
SCHEMBL522636 0.76 CYP4F2 (0.57) CYP4F2CYP4A11TSHRMAPTRAB9A
SCHEMBL22684772 0.75 CYP4F2 (0.46) CYP4F2CYP4A11TSHRTP53ALDH1A1
SCHEMBL20077738 0.74 SMN1; SMN2 (0.57) CYP4F2CYP4A11TSHRMAPTRAB9A
SCHEMBL7119653 0.74 CYP4F2 (0.68) CYP4F2CYP4A11TSHRALDH1A1HSD17B10
SCHEMBL7410301 0.74 CYP4F2 (0.68) CYP4F2CYP4A11TSHRALDH1A1HSD17B10

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