SCHEMBL14219581

SCHEMBL14219581

CCCc1ccc(C2CCC(CCc3ccc(C[C@H](C)c4ccccc4)cc3)CC2)cc1F

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
RORC P51449 4/20 0.33
HTR2A P28223 4/20 0.31
HTR2C P28335 4/20 0.31
MAOA P21397 1/20 0.31
MAOB P27338 1/20 0.31
POLQ O75417 1/20 0.31
SPHK1 Q9NYA1 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
SCHEMBL14219992 1.00 RORC (0.33) RORCHTR2AHTR2CMAOAMAOB
SCHEMBL14219940 0.94 CYP2C9 (0.32) HTR2AHTR2CSPHK1
SCHEMBL14219944 0.94 CYP2C9 (0.32) HTR2AHTR2CSPHK1
SCHEMBL14219988 0.89 HCRTR1 (0.34) MAOB
SCHEMBL14219965 0.88 MAOB (0.32) MAOAMAOB
SCHEMBL14219571 0.88 MAOB (0.32) MAOAMAOB
SCHEMBL14219576 0.88 RORC (0.31) RORC
SCHEMBL14219982 0.88 RORC (0.31) RORC
SCHEMBL14219990 0.86 PPARG (0.33) MAOB
SCHEMBL14219596 0.86 PPARG (0.33) MAOB

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