SCHEMBL14765766

SCHEMBL14765766

CCCCOC1CCC(c2ccc(CCC3CCC(c4ccc(OCC)c(F)c4)CC3)c(F)c2F)CC1

nearest known ligand 0.38

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 2/20 0.38
NAAA Q02083 1/20 0.32
SCN9A Q15858 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
SCHEMBL14765895 0.97 KDM1A (0.34) KDM1ASCN9A
SCHEMBL14766312 0.95 KDM1A (0.33) KDM1ASCN9A
SCHEMBL14765929 0.92 KDM1A (0.41) KDM1ANAAA
SCHEMBL14765767 0.92 KDM1A (0.31) KDM1A
SCHEMBL14765768 0.91 SCN9A (0.31) KDM1ASCN9A
SCHEMBL12734948 0.91 KDM1A (0.40) KDM1ANAAA
SCHEMBL14766310 0.91 SCN9A (0.30) SCN9A
SCHEMBL14766556 0.91 SCN9A (0.30) SCN9A
SCHEMBL12734947 0.90 KDM1A (0.42) KDM1ANAAA
SCHEMBL14765883 0.89 KDM1A (0.40) KDM1ANAAASCN9A

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-8394294-B2 Four-ring liquid crystal compound having lateral fluorine, liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2013-03-12 US disclosed