SCHEMBL8937588

SCHEMBL8937588

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

nearest known ligand 0.32

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 2/20 0.32
RARB P10826 2/20 0.31
RARA P10276 1/20 0.31
PTPN1 P18031 1/20 0.31
PTPN6 P29350 1/20 0.31
S1PR1 P21453 1/20 0.31
ESR2 Q92731 1/20 0.31
HRH3 Q9Y5N1 1/20 0.30
CCNT1 O60563 1/20 0.30
CDK9 P50750 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
SCHEMBL8937836 0.99 PTPN11 (0.34) PTPN11RARBRARAPTPN1PTPN6
SCHEMBL8937878 0.99 PTPN11 (0.34) PTPN11RARBRARAPTPN1PTPN6
SCHEMBL8937764 0.99 PTPN11 (0.34) PTPN11RARBRARAPTPN1PTPN6
SCHEMBL8937743 0.99 PTPN11 (0.34) PTPN11RARBRARAPTPN1PTPN6
SCHEMBL8937752 0.99 PTPN11 (0.34) PTPN11RARBRARAPTPN1PTPN6
SCHEMBL8937756 0.99 PTPN11 (0.34) PTPN11RARBRARAPTPN1PTPN6
SCHEMBL8937749 0.99 PTPN11 (0.34) PTPN11RARBRARAPTPN1PTPN6
SCHEMBL8937928 0.99 PTPN11 (0.34) PTPN11RARBRARAPTPN1PTPN6
SCHEMBL8937967 0.99 PTPN11 (0.34) PTPN11RARBRARAPTPN1PTPN6
SCHEMBL8937612 0.98 RARB (0.33) PTPN11RARBRARAS1PR1ESR2

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