SCHEMBL14765876

SCHEMBL14765876

C=CCCOc1ccc(C2CCC(OCc3ccc(C4CCC(OCC)CC4)c(F)c3F)CC2)cc1F

nearest known ligand 0.35

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.35
KDM1A O60341 2/20 0.34

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
SCHEMBL12736649 0.95 NAAA (0.32) NAAAKDM1A
SCHEMBL14766554 0.94 SCN9A (0.33) NAAAKDM1A
SCHEMBL14765683 0.93 KDM1A (0.39) KDM1A
SCHEMBL14766440 0.92 NAAA (0.35) NAAAKDM1A
SCHEMBL14766226 0.91 NAAA (0.33) NAAAKDM1A
SCHEMBL12736650 0.91 NAAA (0.32) NAAAKDM1A
SCHEMBL12823042 0.91 ACACB (0.31) NAAA
SCHEMBL14766987 0.90 GABRA1 (0.31) NAAA
SCHEMBL14765880 0.90 GABRA1 (0.31) NAAA
SCHEMBL12822896 0.90 NAAA (0.30) NAAA

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