SCHEMBL9504614

SCHEMBL9504614

CCC1CCC(CCc2ccc(-c3cc(F)c(F)c(F)c3)cc2)CC1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 1/20 0.40
MAOB P27338 5/20 0.36
MAOA P21397 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36
RARB P10826 2/20 0.35
RARA P10276 1/20 0.35
RARG P13631 1/20 0.35
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 1/20 0.33
CTSC P53634 1/20 0.33
F10 P00742 1/20 0.33
TAAR1 Q96RJ0 1/20 0.33
ALDH1A1 P00352 1/20 0.32

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
SCHEMBL9504609 1.00 GPR84 (0.40) GPR84MAOBMAOAHRH3RARB
SCHEMBL8027622 0.91 GPR84 (0.40) GPR84MAOBMAOAHRH3RARB
SCHEMBL8027617 0.91 GPR84 (0.40) GPR84MAOBMAOAHRH3RARB
SCHEMBL8814984 0.91 GPR84 (0.40) GPR84MAOBMAOAHRH3RARB
SCHEMBL8025664 0.89 RARB (0.42) GPR84MAOBMAOAHRH3RARB
SCHEMBL8025668 0.89 RARB (0.42) GPR84MAOBMAOAHRH3RARB
SCHEMBL9763594 0.88 HRH3 (0.45) GPR84MAOBMAOAHRH3RARB
SCHEMBL28495679 0.88 CYP17A1 (0.42) GPR84MAOBMAOAHRH3RARB
SCHEMBL9763604 0.88 HRH3 (0.45) GPR84MAOBMAOAHRH3RARB
SCHEMBL28505848 0.88 CYP17A1 (0.42) GPR84MAOBMAOAHRH3RARB

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
EP-0387032-B1 TRIFLUOROBENZENE DERIVATIVES AND LIQUID CRYSTAL COMPOSITIONS CONTAINING THE SAME CHISSO CORP (JP) 1993-06-16 EP disclosed
US-5032313-A Trifluorobenzene derivative and liquid crystal composition containing the same CHISSO CORPORATION (JP) 1991-07-16 US disclosed
EP-0387032-A1 Trifluorobenzene derivatives and liquid crystal compositions containing the same Chisso Corporation (JP) 1990-09-12 EP disclosed