SCHEMBL8428201

SCHEMBL8428201

FCCC1CCC(C2CC=C(CCc3ccc(OC(F)(F)F)cc3)CC2)CC1

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DAO P14920 1/20 0.36
GPR84 Q9NQS5 1/20 0.35
EPHX2 P34913 2/20 0.35
HCRTR1 O43613 7/20 0.33
HCRTR2 O43614 7/20 0.33
DRD2 P14416 2/20 0.33
DRD4 P21917 2/20 0.33
DRD3 P35462 2/20 0.33
HTR2C P28335 2/20 0.33
GPBAR1 Q8TDU6 1/20 0.33
DHODH Q02127 1/20 0.32
FAAH O00519 1/20 0.32
SLC6A4 P31645 1/20 0.32
SLC6A3 Q01959 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
SCHEMBL8465046 0.87 TSHR (0.34) DAOEPHX2HCRTR1HCRTR2DRD2
SCHEMBL8431607 0.83 DRD2 (0.41) DAOGPR84EPHX2DRD2DRD4
SCHEMBL8037733 0.83 TEAD1 (0.34) GPR84EPHX2DRD2DRD4DRD3
SCHEMBL8431486 0.77 DAO (0.41) DAOGPR84EPHX2HCRTR1HCRTR2
SCHEMBL9355367 0.77 MAOB (0.39) DRD2DRD3
SCHEMBL10627971 0.77 MAOB (0.39) DRD2DRD3
SCHEMBL9355275 0.76 RAB9A (0.39) GPR84
SCHEMBL9351068 0.76 TLR4 (0.36)
SCHEMBL8431585 0.75 DRD2 (0.40) DAOEPHX2DRD2DRD4DRD3
SCHEMBL9352243 0.75 MAOB (0.37) DRD2DRD3

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-0718264-B1 A liquid crystalline compound containing fluorine atom substituted alkyl group(s) and a liquid crystal composition CHISSO CORP (JP) 1999-11-17 EP disclosed
EP-0675187-B1 Liquid crystalline compounds and liquid crystal composition CHISSO CORP (JP) 1999-09-15 EP disclosed
US-5702641-A ELECTRICAL AND CHEMICAL STABILITY CHISSO CORPORATION (JP) 1997-12-30 US disclosed
EP-0718264-A1 A liquid crystalline compound containing fluorine atom substituted alkyl group(s) and a liquid crystal composition Chisso Corporation (JP) 1996-06-26 EP disclosed
EP-0675187-A2 Liquid crystalline compounds and liquid crystal composition Chisso Corporation (JP) 1995-10-04 EP disclosed