SCHEMBL14219484

SCHEMBL14219484

CCCc1ccc(CCc2ccc(C3CCC(C[C@H](C)c4ccccc4)CC3)cc2)cc1F

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 11/20 0.34
HTR2A P28223 1/20 0.32
HTR2C P28335 1/20 0.32
FFAR4 Q5NUL3 1/20 0.32
IDO1 P14902 1/20 0.32
SPHK2 Q9NRA0 7/20 0.31
POLB P06746 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
SCHEMBL14220000 1.00 SPHK1 (0.34) SPHK1HTR2AHTR2CFFAR4IDO1
SCHEMBL14220244 0.91 IDO1 (0.31) SPHK1IDO1
SCHEMBL14219478 0.88 SPHK1 (0.34) SPHK1IDO1SPHK2POLB
SCHEMBL14219412 0.88 DGAT1 (0.33) IDO1
SCHEMBL14219475 0.88 DGAT1 (0.33) IDO1
SCHEMBL14219999 0.88 KDM1A (0.35) IDO1POLB
SCHEMBL14219496 0.88 KDM1A (0.35) IDO1POLB
SCHEMBL14219331 0.87 RORC (0.33) HTR2AHTR2CIDO1
SCHEMBL14220030 0.87 RORC (0.33) IDO1
SCHEMBL14219322 0.87 RORC (0.33) IDO1

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