SCHEMBL8990775

SCHEMBL8990775

CCCc1ccc(CCc2ccc(-c3ccc(OC(F)(F)F)cc3)cc2)c(F)c1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DAO P14920 1/20 0.41
GPR84 Q9NQS5 1/20 0.40
PRMT6 Q96LA8 1/20 0.39
TSHR P16473 1/20 0.39
PTGER4 P35408 1/20 0.39
PPARA Q07869 1/20 0.38
CNR1 P21554 1/20 0.38
SLC6A4 P31645 4/20 0.38
SLC6A3 Q01959 3/20 0.38
PLA2G4A P47712 1/20 0.38
FFAR1 O14842 1/20 0.37
FFAR4 Q5NUL3 1/20 0.37
CHRM5 P08912 1/20 0.37
GRM2 Q14416 1/20 0.37
KIF11 P52732 1/20 0.37
CHRNA7 P36544 1/20 0.37
ALDH1A1 P00352 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
SCHEMBL8990665 0.91 S1PR1 (0.44) DAOGPR84PRMT6TSHRALDH1A1
SCHEMBL9664336 0.87 ALOX5 (0.41) CNR1
SCHEMBL8990885 0.87 TSHR (0.47) DAOGPR84PRMT6TSHRSLC6A4
SCHEMBL8990653 0.87 TSHR (0.47) DAOGPR84PRMT6TSHRSLC6A4
SCHEMBL8990631 0.86 GRM2 (0.47) DAOGPR84PRMT6TSHRSLC6A4
SCHEMBL9737693 0.86 GRM2 (0.47) DAOGPR84PRMT6TSHRSLC6A4
SCHEMBL9664848 0.86 TAAR1 (0.40) CNR1
SCHEMBL9425491 0.85 TSHR (0.49) DAOGPR84PRMT6TSHRSLC6A4
SCHEMBL9060389 0.85 TSHR (0.49) DAOGPR84PRMT6TSHRSLC6A4
SCHEMBL9225207 0.85 GRM2 (0.47) PRMT6TSHRPTGER4PPARAFFAR1

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
US-5496499-A Biphenylethanes and liquid-crystalline phase MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1996-03-05 US disclosed
EP-0429558-B1 DIPHENYLYLETHANES AND LIQUID CRYSTALLINE PHASE MERCK PATENT GMBH (DE) 1994-03-30 EP disclosed
WO-1990008757-A1 DIPHENYLYLETHANES AND LIQUID CRYSTALLINE PHASE MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 1990-08-09 WO disclosed