SCHEMBL8938066

SCHEMBL8938066

C/C=C/C1CC=C(c2ccc(-c3ccc(-c4ccc(OCCCCCCC)c(F)c4F)cc3)cc2F)CC1

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 4/20 0.33
PTPN1 P18031 1/20 0.32
PTPN6 P29350 1/20 0.32
S1PR1 P21453 2/20 0.31
THRA P10827 1/20 0.31
THRB P10828 1/20 0.31
RARB P10826 2/20 0.31
S1PR4 O95977 1/20 0.31
S1PR3 Q99500 1/20 0.31
S1PR5 Q9H228 1/20 0.31
RARA P10276 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
SCHEMBL8938069 1.00 PTPN11 (0.33) PTPN11PTPN1PTPN6S1PR1THRA
SCHEMBL8938068 1.00 PTPN11 (0.33) PTPN11PTPN1PTPN6S1PR1THRA
SCHEMBL8938061 1.00 PTPN11 (0.33) PTPN11PTPN1PTPN6S1PR1THRA
SCHEMBL8938055 0.99 S1PR1 (0.32) PTPN11PTPN1PTPN6S1PR1RARB
SCHEMBL8938050 0.96 S1PR1 (0.34) S1PR1RARBRARA
SCHEMBL8936814 0.94 RARB (0.33) PTPN11S1PR1THRATHRBRARB
SCHEMBL8936819 0.94 RARB (0.33) PTPN11S1PR1THRATHRBRARB
SCHEMBL8936866 0.94 RARB (0.33) PTPN11S1PR1THRATHRBRARB
SCHEMBL8936787 0.94 RARB (0.33) PTPN11S1PR1THRATHRBRARB
SCHEMBL8938048 0.94 GABRA1 (0.32)

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