SCHEMBL7722802

SCHEMBL7722802

CCCCCc1ccc(-c2c([O])cc(F)c(CCc3ccc(C#N)cc3)c2F)cc1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.55
HSD17B10 Q99714 1/20 0.55
RARB P10826 9/20 0.40
RARA P10276 2/20 0.40
RARG P13631 1/20 0.40
GPR84 Q9NQS5 1/20 0.36
CYP19A1 P11511 3/20 0.35
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34
MTOR P42345 1/20 0.34
KMT2A Q03164 1/20 0.34
HTR2A P28223 1/20 0.34
HRH3 Q9Y5N1 1/20 0.34
CYP2A6 P11509 1/20 0.33
EP300 Q09472 1/20 0.33

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
SCHEMBL8470777 0.97 TSHR (0.50) TSHRHSD17B10RARBRARARARG
SCHEMBL7735008 0.92 TSHR (0.43) TSHRHSD17B10CYP19A1MEN1ALDH1A1
SCHEMBL8472567 0.90 CYP2A6 (0.45) TSHRHSD17B10HRH3CYP2A6
SCHEMBL8470570 0.89 TSHR (0.41) TSHRHSD17B10RARBRARARARG
SCHEMBL8836848 0.88 TSHR (0.41) TSHRHSD17B10RARBRARARARG
SCHEMBL8836568 0.86 RARB (0.43) TSHRHSD17B10RARBRARARARG
SCHEMBL8470743 0.86 TSHR (0.37) TSHRHSD17B10RARBRARARARG
SCHEMBL8836799 0.85 RARB (0.45) TSHRHSD17B10RARBRARARARG
SCHEMBL8836062 0.85 RARB (0.45) TSHRHSD17B10RARBRARARARG
SCHEMBL8836400 0.85 RARB (0.45) TSHRHSD17B10RARBRARARARG

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-0786445-B1 DIFLUOROXYMETHANE DERIVATIVE AND LIQUID CRYSTAL COMPOSITION CHISSO CORP (JP) 2002-07-17 EP disclosed
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