SCHEMBL9737693

SCHEMBL9737693

CCCc1ccc(CCc2ccc(-c3ccc(CCc4ccc(OC(F)(F)F)cc4)cc3)c(F)c2)cc1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 2/20 0.47
RARB P10826 1/20 0.41
DAO P14920 1/20 0.41
S1PR1 P21453 2/20 0.41
S1PR3 Q99500 2/20 0.41
ALOX5AP P20292 1/20 0.40
FEN1 P39748 1/20 0.40
FFAR4 Q5NUL3 3/20 0.40
FFAR1 O14842 2/20 0.40
GPR84 Q9NQS5 1/20 0.40
TSHR P16473 1/20 0.39
SLC6A4 P31645 2/20 0.38
SLC6A3 Q01959 2/20 0.38
PRMT6 Q96LA8 1/20 0.37
GPR3 P46089 1/20 0.37
CHRNA7 P36544 1/20 0.37
PDK2 Q15119 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
SCHEMBL8990631 1.00 GRM2 (0.47) GRM2RARBDAOS1PR1S1PR3
SCHEMBL9221140 0.97 GRM2 (0.48) GRM2RARBDAOS1PR1S1PR3
SCHEMBL9225207 0.96 GRM2 (0.47) GRM2RARBS1PR1S1PR3ALOX5AP
SCHEMBL8990655 0.93 GRM2 (0.53) GRM2RARBDAOS1PR1S1PR3
SCHEMBL9227374 0.92 GRM2 (0.47) GRM2RARBDAOS1PR1S1PR3
SCHEMBL8990674 0.91 RARB (0.53) GRM2RARBDAOS1PR1S1PR3
SCHEMBL9751649 0.88 GRM2 (0.49) GRM2RARBDAOS1PR1S1PR3
SCHEMBL6059408 0.88 GRM2 (0.44) GRM2RARBS1PR1S1PR3ALOX5AP
SCHEMBL9223704 0.88 RARB (0.46) GRM2RARBS1PR1S1PR3ALOX5AP
SCHEMBL8999676 0.88 RARB (0.41) GRM2RARBS1PR1S1PR3FFAR4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5151213-A Liquid crystal compounds and display elemints MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1992-09-29 US disclosed