SCHEMBL8937612

SCHEMBL8937612

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

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
RARB P10826 2/20 0.33
RARA P10276 1/20 0.33
S1PR1 P21453 1/20 0.33
CCNT1 O60563 1/20 0.32
CDK9 P50750 1/20 0.32
ESR2 Q92731 1/20 0.31
PTPN11 Q06124 1/20 0.30
HRH3 Q9Y5N1 1/20 0.30
FFAR4 Q5NUL3 1/20 0.30
PPARD Q03181 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
SCHEMBL8937772 0.99 RARA (0.33) RARBRARAS1PR1CCNT1CDK9
SCHEMBL8937588 0.98 PTPN11 (0.32) RARBRARAS1PR1CCNT1CDK9
SCHEMBL8937689 0.97 RARA (0.31) RARBRARAS1PR1CCNT1CDK9
SCHEMBL8937743 0.97 PTPN11 (0.34) RARBRARAS1PR1CCNT1CDK9
SCHEMBL8937756 0.97 PTPN11 (0.34) RARBRARAS1PR1CCNT1CDK9
SCHEMBL8937749 0.97 PTPN11 (0.34) RARBRARAS1PR1CCNT1CDK9
SCHEMBL8937752 0.97 PTPN11 (0.34) RARBRARAS1PR1CCNT1CDK9
SCHEMBL8937928 0.97 PTPN11 (0.34) RARBRARAS1PR1CCNT1CDK9
SCHEMBL8937764 0.97 PTPN11 (0.34) RARBRARAS1PR1CCNT1CDK9
SCHEMBL8937967 0.97 PTPN11 (0.34) RARBRARAS1PR1CCNT1CDK9

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