SCHEMBL8941370

SCHEMBL8941370

CCCCCCCC1CCC(c2ccc(-c3ccc(-c4ccc(OCCCC)c(F)c4F)cc3)cc2F)OC1

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 3/20 0.33
S1PR1 P21453 1/20 0.33
RARB P10826 2/20 0.32
RARA P10276 1/20 0.32
FPR2 P25090 1/20 0.31
GRIN1 Q05586 2/20 0.31
GRIN2B Q13224 2/20 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
SCHEMBL8941033 0.99 S1PR1 (0.33) PTPN11S1PR1RARBRARAFPR2
SCHEMBL8941333 0.98 PTPN11 (0.35) PTPN11S1PR1RARBRARAFPR2
SCHEMBL8941126 0.98 PTPN11 (0.35) PTPN11S1PR1RARBRARAFPR2
SCHEMBL8941135 0.98 PTPN11 (0.35) PTPN11S1PR1RARBRARAFPR2
SCHEMBL8941129 0.98 PTPN11 (0.35) PTPN11S1PR1RARBRARAFPR2
SCHEMBL8940982 0.98 PTPN11 (0.35) PTPN11S1PR1RARBRARAFPR2
SCHEMBL8941257 0.98 PTPN11 (0.35) PTPN11S1PR1RARBRARAFPR2
SCHEMBL8941390 0.98 PTPN11 (0.35) PTPN11S1PR1RARBRARAFPR2
SCHEMBL8941071 0.98 PTPN11 (0.35) PTPN11S1PR1RARBRARAFPR2
SCHEMBL8941177 0.98 PTPN11 (0.35) PTPN11S1PR1RARBRARAFPR2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2206695-B1 TETRA- OR PENTA-CYCLIC LIQUID CRYSTALLINE COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY ELEMENT JNC CORP (JP) 2013-09-18 EP disclosed
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