SCHEMBL14765762

SCHEMBL14765762

CCOc1ccc(C2CCC(c3ccc(C4CCC(OCC)CC4)c(F)c3F)CC2)cc1F

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 4/20 0.50
NAAA Q02083 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
PDE4A P27815 2/20 0.34
HCRTR2 O43614 6/20 0.34
FPR2 P25090 3/20 0.34
TPH1 P17752 1/20 0.34
CAMKK1 Q8N5S9 1/20 0.32
CAMKK2 Q96RR4 1/20 0.32

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
SCHEMBL14766150 0.92 KDM1A (0.44) KDM1ANAAAL3MBTL1PDE4AHCRTR2
SCHEMBL14766039 0.92 KDM1A (0.44) KDM1AHCRTR2FPR2
SCHEMBL10303388 0.89 KDM1A (0.51) KDM1APDE4AFPR2
SCHEMBL12733722 0.89 KDM1A (0.51) KDM1AL3MBTL1PDE4AFPR2TPH1
SCHEMBL14766001 0.89 KDM1A (0.39) KDM1APDE4AHCRTR2
SCHEMBL14765929 0.89 KDM1A (0.41) KDM1ANAAA
SCHEMBL14766419 0.89 HPGD (0.42) KDM1APDE4AHCRTR2TPH1CAMKK1
SCHEMBL14765674 0.88 KDM1A (0.41) KDM1AL3MBTL1PDE4AHCRTR2FPR2
SCHEMBL14765691 0.88 KDM1A (0.40) KDM1ANAAA
SCHEMBL14766037 0.88 KDM1A (0.40) KDM1ANAAAHCRTR2TPH1CAMKK1

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