SCHEMBL14219322

SCHEMBL14219322

CCCc1ccc(C2CCC(C3CCC(C[C@H](C)c4ccccc4)CC3)CC2)cc1F

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
RORC P51449 4/20 0.33
POLQ O75417 1/20 0.31
IDO1 P14902 1/20 0.31
CTSC P53634 3/20 0.31
CTSK P43235 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
SCHEMBL14220030 1.00 RORC (0.33) RORCPOLQIDO1CTSCCTSK
SCHEMBL14219331 0.94 RORC (0.33) RORCPOLQIDO1
SCHEMBL14219595 0.94 RORC (0.33) RORCPOLQIDO1
SCHEMBL14219475 0.88 DGAT1 (0.33) IDO1CTSK
SCHEMBL14219412 0.88 DGAT1 (0.33) IDO1CTSK
SCHEMBL14220000 0.87 SPHK1 (0.34) IDO1
SCHEMBL14219484 0.87 SPHK1 (0.34) IDO1
SCHEMBL14219323 0.87 RORC (0.31) RORC
SCHEMBL14219402 0.87 IDO1 (0.32) IDO1
SCHEMBL14219318 0.87 IDO1 (0.32) 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