SCHEMBL14765838

SCHEMBL14765838

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

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 2/20 0.37
FPR2 P25090 1/20 0.35
GYS1 P13807 1/20 0.35
HTR2C P28335 3/20 0.34
HTR2B P41595 2/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
PDE4A P27815 1/20 0.34
PDE4B Q07343 1/20 0.34
PDE4C Q08493 1/20 0.34
PDE4D Q08499 1/20 0.34
FFAR1 O14842 1/20 0.33
PPARD Q03181 1/20 0.33
FFAR4 Q5NUL3 2/20 0.33
LMNA P02545 1/20 0.33
MAOB P27338 2/20 0.32
HTR2A P28223 1/20 0.32
ALDH1A1 P00352 1/20 0.32
CYP2D6 P10635 1/20 0.32
MAOA P21397 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
SCHEMBL14765801 0.91 KDM1A (0.44) KDM1AFPR2FFAR1PPARDFFAR4
SCHEMBL14765662 0.91 KDM1A (0.36) KDM1AFPR2FFAR1PPARDFFAR4
SCHEMBL14765807 0.90 HTR2C (0.36) FPR2GYS1HTR2CHTR2BMEN1
SCHEMBL12733937 0.89 HTR2C (0.35) KDM1AGYS1HTR2CHTR2BPDE4A
SCHEMBL14766038 0.89 KDM1A (0.36) KDM1AGYS1HTR2CHTR2BPDE4A
SCHEMBL14767054 0.88 FFAR1 (0.41) KDM1AGYS1PDE4DFFAR1PPARD
SCHEMBL14766867 0.87 GYS1 (0.38) GYS1HTR2CHTR2BMEN1KMT2A
SCHEMBL14766578 0.87 NAAA (0.39) KDM1AGYS1HTR2CHTR2BPDE4A
SCHEMBL14765887 0.87 KDM1A (0.34) KDM1AGYS1HTR2CHTR2BMEN1
SCHEMBL14767107 0.86 PPARD (0.39) GYS1MEN1KMT2APDE4DFFAR1

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