SCHEMBL14219595

SCHEMBL14219595

CCCc1ccc(C2CCC(CCC3CCC(C[C@@H](C)c4ccccc4)CC3)CC2)cc1F

nearest known ligand 0.33

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RORC P51449 5/20 0.33
POLQ O75417 1/20 0.33
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
IDO1 P14902 1/20 0.31
HCRTR1 O43613 1/20 0.30
HCRTR2 O43614 1/20 0.30
CNR1 P21554 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
SCHEMBL14219331 1.00 RORC (0.33) RORCPOLQCYP2C9HTR2AHTR2C
SCHEMBL14219322 0.94 RORC (0.33) RORCPOLQIDO1
SCHEMBL14220030 0.94 RORC (0.33) RORCPOLQIDO1
SCHEMBL14219475 0.88 DGAT1 (0.33) IDO1
SCHEMBL14219412 0.88 DGAT1 (0.33) IDO1
SCHEMBL14219484 0.87 SPHK1 (0.34) HTR2AHTR2CIDO1
SCHEMBL14220000 0.87 SPHK1 (0.34) HTR2AHTR2CIDO1
SCHEMBL14219335 0.87 RORC (0.31) RORCPOLQ
SCHEMBL14219606 0.87 RORC (0.31) RORCPOLQ
SCHEMBL14219603 0.87 IDO1 (0.32) CYP2C9ALDH1A1LMNAMAPTMEN1

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