SCHEMBL8473301

SCHEMBL8473301

CCCCCc1ccc(-c2c([O])cc(F)c(CCc3cc(F)c(F)c(F)c3)c2F)c(F)c1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RARB P10826 4/20 0.40
RARA P10276 1/20 0.35
RARG P13631 1/20 0.35
GCGR P47871 1/20 0.35
GPR3 P46089 1/20 0.34
HTR2A P28223 1/20 0.33
KAT8 Q9H7Z6 2/20 0.33
PPARA Q07869 2/20 0.33
S1PR1 P21453 1/20 0.32
SPHK2 Q9NRA0 1/20 0.31
ALDH1A1 P00352 1/20 0.31
GPR84 Q9NQS5 1/20 0.31
CYP3A4 P08684 1/20 0.31
PTGS2 P35354 1/20 0.31
PPARG P37231 1/20 0.31

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
SCHEMBL8473838 0.96 RARB (0.36) RARBRARARARGGCGRGPR3
SCHEMBL8474708 0.91 CNR1 (0.33) RARB
SCHEMBL8475369 0.90 RARB (0.37) RARBRARARARGGCGRGPR3
SCHEMBL8472585 0.89 RARB (0.36) RARBRARARARGGCGRGPR3
SCHEMBL8471090 0.88 ESR1 (0.33) ALDH1A1
SCHEMBL8476679 0.87 RARB (0.35) RARBRARARARGGCGRGPR3
SCHEMBL8471003 0.87 RARB (0.35) RARBRARARARGGCGRGPR3
SCHEMBL8836568 0.87 RARB (0.43) RARBRARARARGHTR2AALDH1A1
SCHEMBL8473755 0.86 DAO (0.34) RARB
SCHEMBL8471073 0.86 PTGS2 (0.35) RARBRARARARGHTR2AGPR84

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5858270-A Difluorooxymethane derivative and liquid crystal composition CHISSO CORPORATION (JP) 1999-01-12 US disclosed
EP-0786445-A1 DIFLUOROXYMETHANE DERIVATIVE AND LIQUID CRYSTAL COMPOSITION CHISSO CORPORATION (JP) 1997-07-30 EP disclosed