SCHEMBL2769207

SCHEMBL2769207

CCCc1cc(CC)cc(CC)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.41
CNR2 P34972 1/20 0.41
PTGS2 P35354 4/20 0.39
CYP3A4 P08684 2/20 0.37
LPL P06858 1/20 0.37
LIPG Q9Y5X9 1/20 0.37
GPR84 Q9NQS5 2/20 0.37
TP53 P04637 1/20 0.36
TAAR1 Q96RJ0 1/20 0.36
NPC1 O15118 1/20 0.36
HPGD P15428 1/20 0.36
MAPK1 P28482 1/20 0.36
HTT P42858 1/20 0.36
RAB9A P51151 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
RXRA P19793 1/20 0.35
RXRB P28702 1/20 0.35
TRPA1 O75762 1/20 0.35
CA2 P00918 1/20 0.34
ALDH1A1 P00352 1/20 0.34

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
SCHEMBL7700304 0.90 CNR1 (0.46) CNR1CNR2PTGS2CYP3A4LPL
SCHEMBL11802721 0.89 FFAR4 (0.41) CNR1CNR2PTGS2CYP3A4LPL
SCHEMBL16957078 0.87 CNR1 (0.39) CNR1CNR2PTGS2CYP3A4LPL
SCHEMBL5168458 0.87 PTGS2 (0.56) CNR1CNR2PTGS2CYP3A4GPR84
SCHEMBL21165539 0.87 CNR1 (0.34) CNR1CNR2PTGS2CYP3A4LPL
SCHEMBL16951757 0.87 CNR1 (0.34) CNR1CNR2PTGS2CYP3A4LPL
SCHEMBL9490042 0.87 PTGS2 (0.42) PTGS2CYP3A4LPLLIPGGPR84
SCHEMBL16960627 0.83 CNR1 (0.36) CNR1CNR2PTGS2CYP3A4LPL
SCHEMBL13980912 0.83 PTGS2 (0.50) PTGS2CYP3A4ALDH1A1
SCHEMBL28806252 0.83 PTGS2 (0.48) PTGS2LPLLIPGTP53TAAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1790216-B1 METHOD OF DETECTING ESTROGEN-LIKE SUBSTANCE BY USING PLANT UNIV HOKKAIDO NAT UNIV CORP (JP) 2010-04-21 EP disclosed
US-20080199858-A1 Method for Detecting Estrogen-Like Chemicals by Plant NATIONAL UNIVERSITY CORPORATION HOKKAIDO UNIVERSITY (JP) 2008-08-21 US disclosed
EP-1790216-A1 METHOD OF DETECTING ESTROGEN-LIKE SUBSTANCE BY USING PLANT National University Corporation Hokkaido University (JP) 2007-05-30 EP disclosed
US-4120846-A Benzoyloxybenzoates and compositions stabilized therewith CIBA-GEIGY CORPORATION (US) 1978-10-17 US disclosed
US-4051104-A Benzoyloxybenzoates and compositions stabilized therewith CIBA-GEIGY CORPORATION (US) 1977-09-27 US disclosed