SCHEMBL8965492

SCHEMBL8965492

CCCCCOc1ccc(-c2ccc(-c3ccc(C4=CCC(C5CCC(CCC)CC5)CC4)c(F)c3)cc2)c(F)c1F

nearest known ligand 0.31

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 1/20 0.31
PTPN11 Q06124 1/20 0.30
CCNT1 O60563 1/20 0.30
CDK9 P50750 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
SCHEMBL8965479 0.99 PTPN11 (0.32) S1PR1PTPN11
SCHEMBL8965514 0.99 PTPN11 (0.32) S1PR1PTPN11
SCHEMBL8965497 0.99 PTPN11 (0.32) S1PR1PTPN11
SCHEMBL8965532 0.99 PTPN11 (0.32) S1PR1PTPN11
SCHEMBL8965520 0.97 S1PR1 (0.33) S1PR1CCNT1CDK9
SCHEMBL8965689 0.97 S1PR1 (0.31) S1PR1PTPN11CCNT1CDK9
SCHEMBL8965913 0.96 PTPN11 (0.32) S1PR1PTPN11
SCHEMBL8965730 0.96 PTPN11 (0.32) S1PR1PTPN11
SCHEMBL8965897 0.96 PTPN11 (0.32) S1PR1PTPN11
SCHEMBL8965938 0.96 PTPN11 (0.32) S1PR1PTPN11

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