SCHEMBL8969994

SCHEMBL8969994

CCCCCCCCOc1ccc(-c2ccc(-c3ccc(/C=C/C4COC(CCCCC)OC4)c(F)c3)cc2)c(F)c1F

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 2/20 0.32
PTPN1 P18031 1/20 0.31
PTPN6 P29350 1/20 0.31
FPR2 P25090 1/20 0.30
THRA P10827 1/20 0.30
THRB P10828 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
SCHEMBL8969904 0.92
SCHEMBL8969869 0.92
SCHEMBL8970032 0.87 RARB (0.32) PTPN11THRATHRB
SCHEMBL8969930 0.85 FPR2 (0.31) PTPN11FPR2
SCHEMBL8970117 0.84
SCHEMBL8955134 0.83 FPR2 (0.36) PTPN11PTPN1PTPN6FPR2THRA
SCHEMBL8955113 0.83 FPR2 (0.36) PTPN11PTPN1PTPN6FPR2THRA
SCHEMBL8955053 0.83 FPR2 (0.36) PTPN11PTPN1PTPN6FPR2THRA
SCHEMBL8954956 0.83 FPR2 (0.36) PTPN11PTPN1PTPN6FPR2THRA
SCHEMBL8954921 0.83 FPR2 (0.36) PTPN11PTPN1PTPN6FPR2THRA

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