SCHEMBL8934081

SCHEMBL8934081

CCCCCOc1ccc(-c2ccc(-c3ccc(C4CCC(CCC)CC4)c(F)c3)cc2)c(F)c1F

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 8/20 0.34
PTPN11 Q06124 3/20 0.34
FFAR4 Q5NUL3 2/20 0.34
FPR2 P25090 1/20 0.34
S1PR1 P21453 1/20 0.34
DGAT1 O75907 1/20 0.33
SCN9A Q15858 1/20 0.33
RARA P10276 1/20 0.33
RARB P10826 1/20 0.33
PTPN1 P18031 1/20 0.32
PTPN6 P29350 1/20 0.32
GRIN1 Q05586 1/20 0.32
GRIN2B Q13224 1/20 0.32
HRH3 Q9Y5N1 1/20 0.32

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
SCHEMBL8934318 0.99 PTPN11 (0.35) OPRL1PTPN11FFAR4FPR2S1PR1
SCHEMBL8933952 0.99 PTPN11 (0.35) OPRL1PTPN11FFAR4FPR2S1PR1
SCHEMBL8934090 0.99 PTPN11 (0.35) OPRL1PTPN11FFAR4FPR2S1PR1
SCHEMBL8934269 0.99 PTPN11 (0.35) OPRL1PTPN11FFAR4FPR2S1PR1
SCHEMBL8960447 0.97 FFAR4 (0.33) OPRL1PTPN11FFAR4FPR2S1PR1
SCHEMBL8934233 0.97 S1PR1 (0.36) OPRL1FFAR4S1PR1DGAT1SCN9A
SCHEMBL8960571 0.96 PTPN11 (0.34) OPRL1PTPN11FFAR4FPR2S1PR1
SCHEMBL8960559 0.96 PTPN11 (0.34) OPRL1PTPN11FFAR4FPR2S1PR1
SCHEMBL8960583 0.96 PTPN11 (0.34) OPRL1PTPN11FFAR4FPR2S1PR1
SCHEMBL8960207 0.96 PTPN11 (0.34) OPRL1PTPN11FFAR4FPR2S1PR1

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