SCHEMBL14219940

SCHEMBL14219940

CCCc1ccc(CCC2CCC(c3ccc(C[C@@H](C)c4ccccc4)cc3)CC2)cc1F

nearest known ligand 0.32

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.32
HTR2A P28223 4/20 0.31
HTR2C P28335 4/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
MEN1 O00255 1/20 0.31
MAPK1 P28482 1/20 0.31
KMT2A Q03164 1/20 0.31
HCRTR1 O43613 2/20 0.31
HCRTR2 O43614 2/20 0.31
SPHK1 Q9NYA1 1/20 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
SCHEMBL14219944 1.00 CYP2C9 (0.32) CYP2C9HTR2AHTR2CALDH1A1LMNA
SCHEMBL14219992 0.94 RORC (0.33) HTR2AHTR2CSPHK1
SCHEMBL14219581 0.94 RORC (0.33) HTR2AHTR2CSPHK1
SCHEMBL14219936 0.89 FFAR4 (0.33) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL14219448 0.89 FFAR4 (0.33) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL14219956 0.89 HCRTR1 (0.38) HCRTR1HCRTR2SIGMAR1
SCHEMBL14219926 0.89 HCRTR1 (0.38) HCRTR1HCRTR2SIGMAR1
SCHEMBL14219950 0.88
SCHEMBL14219962 0.86 SIGMAR1 (0.33) MEN1KMT2AHCRTR1HCRTR2SIGMAR1
SCHEMBL14219949 0.86 HCRTR1 (0.34) HCRTR1HCRTR2

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