SCHEMBL14922672

SCHEMBL14922672

CCCOc1ccc(-c2ccc(C(=O)OC3CCC(C4CCC(c5ccc(OCC)c(F)c5F)CC4)CC3)c(F)c2F)c(F)c1F

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FPR2 P25090 4/20 0.33
▸ CNR1 P21554 1/20 0.33
▸ CNR2 P34972 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ MEN1 O00255 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ NTSR1 P30989 1/20 0.32
▸ ATM Q13315 1/20 0.32
▸ SCN9A Q15858 1/20 0.32
▸ ALOX5AP P20292 1/20 0.31
▸ FEN1 P39748 1/20 0.31
▸ FFAR4 Q5NUL3 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ GRM2 Q14416 2/20 0.31
▸ CAMKK1 Q8N5S9 1/20 0.31
▸ CAMKK2 Q96RR4 1/20 0.31
▸ CYP1A2 P05177 1/20 0.31
▸ CYP3A4 P08684 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
SCHEMBL15381526 0.97 CNR1 (0.35) FPR2CNR1CNR2MAPTSMN1; SMN2
SCHEMBL15381784 0.97 CNR1 (0.35) FPR2CNR1CNR2MAPTSMN1; SMN2
SCHEMBL14922656 0.95 SCN9A (0.37) FPR2CNR1CNR2MAPTSMN1; SMN2
SCHEMBL14922594 0.95 MAPT (0.36) FPR2MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL15381743 0.92 SCN9A (0.39) FPR2CNR1CNR2MAPTSMN1; SMN2
SCHEMBL15381616 0.92 SCN9A (0.39) FPR2CNR1CNR2MAPTSMN1; SMN2
SCHEMBL15381720 0.92 MAPT (0.37) FPR2MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL15381579 0.92 MAPT (0.37) FPR2MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL12223556 0.90 MAPT (0.33) FPR2MAPTSMN1; SMN2CAMKK1CAMKK2
SCHEMBL12197264 0.90 MAPT (0.35) FPR2MAPTSMN1; SMN2ALOX5APFEN1

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-8435422-B2 Five-ring compound, liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2013-05-07 — — US disclosed
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