SCHEMBL14219448

SCHEMBL14219448

CCCc1c(F)cc(CCC2CCC(c3ccc(C[C@H](C)c4ccccc4)cc3)CC2)cc1F

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 1/20 0.33
CYP2C9 P11712 1/20 0.33
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
ESR2 Q92731 1/20 0.32
SPHK1 Q9NYA1 2/20 0.31
SIGMAR1 Q99720 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
SCHEMBL14219936 1.00 FFAR4 (0.33) FFAR4CYP2C9ALDH1A1LMNAMAPT
SCHEMBL14219965 0.93 MAOB (0.32) SIGMAR1
SCHEMBL14219571 0.93 MAOB (0.32) SIGMAR1
SCHEMBL14219577 0.92 MAOA (0.34) FFAR4CYP2C9ALDH1A1LMNAMAPT
SCHEMBL14219970 0.92 MAOA (0.34) FFAR4CYP2C9ALDH1A1LMNAMAPT
SCHEMBL14219962 0.89 SIGMAR1 (0.33) FFAR4MEN1KMT2AESR2SIGMAR1
SCHEMBL14219383 0.89 SPHK1 (0.34) ESR2SPHK1SIGMAR1
SCHEMBL14219940 0.89 CYP2C9 (0.32) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL14219944 0.89 CYP2C9 (0.32) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL14219960 0.88 GRM2 (0.34) MEN1KMT2ASIGMAR1

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