SCHEMBL14219970

SCHEMBL14219970

CCCc1ccc(C2CCC(CCc3cc(F)c(C[C@@H](C)c4ccccc4)c(F)c3)CC2)cc1

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.34
MAOB P27338 1/20 0.34
SPHK1 Q9NYA1 3/20 0.33
CYP2C9 P11712 1/20 0.33
OPRM1 P35372 1/20 0.32
OPRD1 P41143 1/20 0.32
OPRK1 P41145 1/20 0.32
OPRL1 P41146 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
MEN1 O00255 1/20 0.32
MAPK1 P28482 1/20 0.32
KMT2A Q03164 1/20 0.32
FFAR4 Q5NUL3 1/20 0.31

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
SCHEMBL14219577 1.00 MAOA (0.34) MAOAMAOBSPHK1CYP2C9OPRM1
SCHEMBL14219963 0.94 MAOB (0.35) MAOAMAOBOPRM1OPRD1OPRK1
SCHEMBL14219933 0.94 MAOB (0.35) MAOAMAOBOPRM1OPRD1OPRK1
SCHEMBL14219936 0.92 FFAR4 (0.33) SPHK1CYP2C9ALDH1A1LMNAMAPT
SCHEMBL14219448 0.92 FFAR4 (0.33) SPHK1CYP2C9ALDH1A1LMNAMAPT
SCHEMBL14219589 0.91 CHRM4 (0.36)
SCHEMBL14219911 0.89 SPHK1 (0.37) SPHK1
SCHEMBL14219454 0.89 SPHK1 (0.37) SPHK1
SCHEMBL14219574 0.89 CCR1 (0.36) MEN1KMT2A
SCHEMBL14219968 0.89 CCR1 (0.36) MEN1KMT2A

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
EP-1650285-B1 Liquid crystal composition containing an optically active compound and liquid crystal electro-optical element SEIMI CHEM KK (JP) 2008-04-30 EP disclosed