SCHEMBL8937689

SCHEMBL8937689

CCCCCC1CC=C(c2ccc(-c3ccc(-c4ccc(OCCC)c(F)c4F)cc3)cc2F)CC1

nearest known ligand 0.31

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
RARA P10276 1/20 0.31
RARB P10826 1/20 0.31
S1PR1 P21453 1/20 0.30
FFAR4 Q5NUL3 1/20 0.30
CCNT1 O60563 2/20 0.30
CDK9 P50750 2/20 0.30
ESR2 Q92731 1/20 0.30
HRH3 Q9Y5N1 1/20 0.30
PTPN11 Q06124 1/20 0.30

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
SCHEMBL8937847 0.99 PTPN11 (0.31) RARARARBS1PR1FFAR4CCNT1
SCHEMBL8937612 0.97 RARB (0.33) RARARARBS1PR1FFAR4CCNT1
SCHEMBL8937588 0.97 PTPN11 (0.32) RARARARBS1PR1CCNT1CDK9
SCHEMBL8937764 0.96 PTPN11 (0.34) RARARARBS1PR1CCNT1CDK9
SCHEMBL8937749 0.96 PTPN11 (0.34) RARARARBS1PR1CCNT1CDK9
SCHEMBL8937743 0.96 PTPN11 (0.34) RARARARBS1PR1CCNT1CDK9
SCHEMBL8937928 0.96 PTPN11 (0.34) RARARARBS1PR1CCNT1CDK9
SCHEMBL8937752 0.96 PTPN11 (0.34) RARARARBS1PR1CCNT1CDK9
SCHEMBL8937967 0.96 PTPN11 (0.34) RARARARBS1PR1CCNT1CDK9
SCHEMBL8937756 0.96 PTPN11 (0.34) RARARARBS1PR1CCNT1CDK9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8187494-B2 Four- or five-ring liquid crystal compound having lateral fluorine, liquid crystal composition, and liquid crystal display device JNC CORPORATION (JP) 2012-05-29 US disclosed