SCHEMBL9080595

SCHEMBL9080595

Br[Mg]CCc1ccc(Oc2ccccc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 3/20 0.53
LTA4H P09960 6/20 0.52
SRD5A2 P31213 3/20 0.46
TSHR P16473 1/20 0.46
FFAR4 Q5NUL3 2/20 0.45
EPHX2 P34913 1/20 0.45
NR1H2 P55055 1/20 0.42
BAX Q07812 1/20 0.42
MAOA P21397 1/20 0.42
MMP12 P39900 1/20 0.42
MMP13 P45452 1/20 0.42
PLAAT3 P53816 1/20 0.42
PLAAT5 Q96KN8 1/20 0.42
PLAAT2 Q9NWW9 1/20 0.42
PLAAT4 Q9UL19 1/20 0.42
DAO P14920 1/20 0.41

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
SCHEMBL11151727 0.89 FFAR1 (0.50) FFAR1LTA4HSRD5A2TSHRFFAR4
SCHEMBL129338 0.81 TDP1 (0.52) TSHRMAOA
SCHEMBL19322270 0.81 LTA4H (0.67) FFAR1LTA4HSRD5A2TSHRFFAR4
SCHEMBL28724005 0.79 FFAR1 (0.64) FFAR1LTA4HSRD5A2TSHRFFAR4
SCHEMBL7456192 0.78 TDP1 (0.62) FFAR1LTA4HSRD5A2TSHRFFAR4
SCHEMBL19322272 0.77 FFAR1 (0.62) FFAR1LTA4HSRD5A2TSHRFFAR4
SCHEMBL2201304 0.77 FFAR1 (0.62) FFAR1LTA4HSRD5A2TSHRFFAR4
SCHEMBL23573012 0.77 FFAR1 (0.61) FFAR1LTA4HSRD5A2TSHRFFAR4
SCHEMBL1295195 0.76 TAAR1 (0.55) LTA4H
SCHEMBL12514597 0.75 ALDH1A1 (0.61) FFAR1LTA4HSRD5A2TSHRFFAR4

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
WO-1996034851-A1 BENZENE, PYRIDINE, NAPHTALENE OR BENZOPHENONE DERIVATIVES AS INHIBITORS OF SQUALENE SYNTHETASE AND PROTEIN FARNESYLTRANSFERASE ABBOTT LABORATORIES (US) 1996-11-07 WO disclosed
EP-0024943-B1 5,6,7-TRINOR-4,8-INTER-M-PHENYLENE PGI2 DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM TORAY INDUSTRIES, INC. (JP) 1983-08-17 EP disclosed
US-4301164-A FOR USE AS ANTIULCER AGENTS, HYPOTENSIVE AGENTS, ANTITHROMBOSIC AGENTS TORAY INDUSTRIES, INC. (JP) 1981-11-17 US disclosed
EP-0024943-A1 5,6,7-Trinor-4,8-inter-m-phenylene PGI2 derivatives and pharmaceutical compositions containing them TORAY INDUSTRIES, INC. (JP) 1981-03-11 EP disclosed