SCHEMBL8950377

SCHEMBL8950377

CCCCCCCC1COC(c2ccc(-c3ccc(-c4ccc(OCCCC)c(F)c4F)cc3)cc2F)OC1

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 3/20 0.33
S1PR1 P21453 1/20 0.33
PTPN11 Q06124 3/20 0.32
RARA P10276 1/20 0.31
RARB P10826 1/20 0.31
PTPN1 P18031 1/20 0.31
PTPN6 P29350 1/20 0.31

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
SCHEMBL8950357 0.99 FPR2 (0.33) FPR2S1PR1PTPN11RARARARB
SCHEMBL8950464 0.98 PTPN11 (0.34) FPR2S1PR1PTPN11RARBPTPN1
SCHEMBL8950395 0.98 PTPN11 (0.34) FPR2S1PR1PTPN11RARBPTPN1
SCHEMBL8950404 0.98 PTPN11 (0.34) FPR2S1PR1PTPN11RARBPTPN1
SCHEMBL8950448 0.98 PTPN11 (0.34) FPR2S1PR1PTPN11RARBPTPN1
SCHEMBL8950136 0.98 PTPN11 (0.34) FPR2S1PR1PTPN11RARBPTPN1
SCHEMBL8950459 0.98 PTPN11 (0.34) FPR2S1PR1PTPN11RARBPTPN1
SCHEMBL8950409 0.98 PTPN11 (0.34) FPR2S1PR1PTPN11RARBPTPN1
SCHEMBL8950470 0.98 PTPN11 (0.34) FPR2S1PR1PTPN11RARBPTPN1
SCHEMBL8950526 0.98 PTPN11 (0.34) FPR2S1PR1PTPN11RARBPTPN1

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