SCHEMBL14922600

SCHEMBL14922600

CCCCOc1ccc(C2CCC(c3ccc(C4CC=C(c5ccc(OCC)c(F)c5F)CC4)c(F)c3F)CC2)c(F)c1F

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 1/20 0.34
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
PPARD Q03181 1/20 0.31
FPR2 P25090 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL14922592 1.00 SCN9A (0.34) SCN9AMEN1KMT2APPARDFPR2
SCHEMBL14922504 0.98 SCN9A (0.35) SCN9A
SCHEMBL14922514 0.98 MEN1 (0.32) SCN9AMEN1KMT2APPARDFPR2
SCHEMBL1242654 0.98 MEN1 (0.32) SCN9AMEN1KMT2APPARDFPR2
SCHEMBL15381685 0.97 FPR2 (0.33) SCN9AMEN1KMT2APPARDFPR2
SCHEMBL15381514 0.97 FPR2 (0.33) SCN9AMEN1KMT2APPARDFPR2
SCHEMBL14922505 0.96 SCN9A (0.32) SCN9AFPR2
SCHEMBL14922597 0.95 HTR2C (0.33) FPR2
SCHEMBL14922502 0.95 HTR2C (0.33) FPR2
SCHEMBL15381587 0.95 FPR2 (0.32) SCN9AFPR2

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