SCHEMBL8960823

SCHEMBL8960823

CCCCCCCC1CCC(C2CCC(c3ccc(-c4ccc(-c5ccc(OC)c(F)c5F)cc4)cc3F)CC2)CC1

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 4/20 0.35
NAAA Q02083 1/20 0.34
GRIN1 Q05586 1/20 0.34
GRIN2B Q13224 1/20 0.34
DGAT1 O75907 1/20 0.34
OPRL1 P41146 6/20 0.33
CNR2 P34972 3/20 0.32
CNR1 P21554 2/20 0.32
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32
TDP2 O95551 1/20 0.32
FPR2 P25090 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
SCHEMBL8960707 0.99 NAAA (0.34) MGLLNAAAGRIN1GRIN2BDGAT1
SCHEMBL8934309 0.97 MGLL (0.36) MGLLNAAAGRIN1GRIN2BDGAT1
SCHEMBL8934025 0.96 NAAA (0.36) MGLLNAAAGRIN1GRIN2BDGAT1
SCHEMBL8961187 0.93 FFAR4 (0.33) NAAAGRIN1GRIN2BDGAT1OPRL1
SCHEMBL8960385 0.92 NAAA (0.36) NAAAGRIN1GRIN2BDGAT1OPRL1
SCHEMBL8960509 0.92 PTPN11 (0.34) DGAT1OPRL1GAAMAPTFPR2
SCHEMBL8960906 0.92 PTPN11 (0.34) DGAT1OPRL1GAAMAPTFPR2
SCHEMBL8960889 0.92 PTPN11 (0.34) DGAT1OPRL1GAAMAPTFPR2
SCHEMBL8961095 0.92 S1PR1 (0.34) DGAT1OPRL1GAAMAPTFPR2
SCHEMBL8960844 0.92 PTPN11 (0.34) DGAT1OPRL1GAAMAPTFPR2

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