SCHEMBL14765887

SCHEMBL14765887

C=CCOc1ccc(C2CCC(/C=C/c3ccc(-c4ccc(OCC)cc4)c(F)c3F)CC2)cc1F

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 2/20 0.34
PDE4A P27815 1/20 0.32
PDE4B Q07343 1/20 0.32
PDE4C Q08493 1/20 0.32
PDE4D Q08499 1/20 0.32
HTR2C P28335 2/20 0.32
HTR2B P41595 2/20 0.32
GYS1 P13807 1/20 0.32
FFAR4 Q5NUL3 1/20 0.31
MAOB P27338 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 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
SCHEMBL14765696 0.94 KDM1A (0.39) KDM1AFFAR4
SCHEMBL14765727 0.93 KDM1A (0.33) KDM1A
SCHEMBL12734302 0.90 HTR2C (0.33) PDE4APDE4BPDE4CPDE4DHTR2C
SCHEMBL14765714 0.89 KDM1A (0.37) KDM1AFFAR4
SCHEMBL12716182 0.89 KDM1A (0.38) KDM1APDE4A
SCHEMBL14765697 0.88 CNR2 (0.31) KDM1AFFAR4
SCHEMBL12734277 0.88 KDM1A (0.38) KDM1A
SCHEMBL12716199 0.87 APP (0.33) PDE4APDE4BPDE4CPDE4DHTR2C
SCHEMBL14765899 0.87 RAB9A (0.33) KDM1APDE4APDE4BPDE4CPDE4D
SCHEMBL14765699 0.87 GYS1 (0.31) HTR2CHTR2BGYS1

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