SCHEMBL8767993

SCHEMBL8767993

CCCc1ccc(-c2ccc(B(O)O)cc2F)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LPL P06858 8/20 0.59
LIPG Q9Y5X9 8/20 0.59
RARB P10826 3/20 0.48
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
TRPV1 Q8NER1 1/20 0.45
MGLL Q99685 1/20 0.45
CNR1 P21554 1/20 0.41
CNR2 P34972 1/20 0.41
ALOX5 P09917 1/20 0.40
CHKA P35790 1/20 0.37
S1PR1 P21453 1/20 0.36
S1PR3 Q99500 1/20 0.36
MCL1 Q07820 1/20 0.36
RARA P10276 1/20 0.36
RARG P13631 1/20 0.36
NPC1 O15118 1/20 0.36
TP53 P04637 1/20 0.36
PKM P14618 1/20 0.36
RAB9A P51151 1/20 0.36

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
SCHEMBL4189304 0.91 CA1 (0.61) LPLLIPGRARBCA1CA2
SCHEMBL6557463 0.90 LPL (0.62) LPLLIPGRARBCA1CA2
SCHEMBL9399967 0.82 RARB (0.52) LPLLIPGRARBCNR1CNR2
SCHEMBL9493977 0.81 LPL (0.62) LPLLIPGRARBCA1CA2
SCHEMBL15725334 0.81 RARB (0.52) LPLLIPGRARBCNR1CNR2
SCHEMBL16377224 0.80 RARB (0.51) RARBCNR1CNR2ALOX5CHKA
SCHEMBL9662918 0.80 RARB (0.51) RARBCNR1CNR2ALOX5CHKA
SCHEMBL9664422 0.80 RARB (0.51) RARBCNR1CNR2ALOX5CHKA
SCHEMBL9512294 0.80 RARB (0.51) RARBCNR1CNR2ALOX5CHKA
SCHEMBL10603849 0.80 RARB (0.51) RARBCNR1CNR2ALOX5CHKA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7998540-B2 Substituted anthracenes MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2011-08-16 US disclosed
US-7998540-B2 Substituted anthracenes MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2011-08-16 US disclosed
US-20070014934-A1 Substituted anthracenes MERCK PATENT GMBH (DE) 2007-01-18 US disclosed
US-20070014934-A1 Substituted anthracenes MERCK PATENT GMBH (DE) 2007-01-18 US disclosed
EP-0440643-B1 FLUORINATED 4''-CYANO SUBSTITUTED TERPHENYLS SECR DEFENCE BRIT (GB) 1997-09-03 EP disclosed
US-5312563-A Liquid crystals for optical apparatus THE SECRETARY OF STATE FOR DEFENCE IN HER BRITANNIC MAJESTY'S GOVERNMENT OF THE U.K. OF GREAT BRITAIN AND NORTHERN IRELAND (GB) 1994-05-17 US disclosed
EP-0440643-A1 FLUORINATED 4''-CYANO SUBSTITUTED TERPHENYLS. SECR DEFENCE BRIT (GB) 1991-08-14 EP disclosed
WO-1989012621-A1 FLUORINATED 4''-CYANO SUBSTITUTED TERPHENYLS THE SECRETARY OF STATE FOR DEFENCE IN HER BRITANNI (GB) 1989-12-28 WO disclosed