SCHEMBL8036065

SCHEMBL8036065

CCCCOCc1ccc(C(=O)O)c(-c2ccc(C#N)c(F)c2)c1

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
RARB P10826 5/20 0.52
RARA P10276 3/20 0.52
MCL1 Q07820 1/20 0.45
RARG P13631 2/20 0.45
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
KDM1A O60341 5/20 0.39
LTB4R2 Q9NPC1 1/20 0.39
PTPN11 Q06124 1/20 0.38

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
SCHEMBL8036183 0.97 RARB (0.48) RARBRARAMCL1RARGALDH1A1
SCHEMBL8049055 0.94 RARB (0.43) RARBRARAMCL1RARGKDM1A
SCHEMBL8034247 0.89 CYP11B1 (0.41) RARBRARARARGKDM1A
SCHEMBL4651808 0.86 RARB (0.55) RARBRARAMCL1RARGLTB4R2
SCHEMBL7516262 0.85 RARB (0.60) RARBRARAMCL1RARGALDH1A1
SCHEMBL7511320 0.84 RARB (0.48) RARBRARAMCL1RARGKDM1A
SCHEMBL6267138 0.84 RARB (0.44) RARBRARARARGKDM1A
SCHEMBL8048358 0.80 RARB (0.44) RARBRARAMCL1RARGALDH1A1
SCHEMBL8045318 0.78 RARB (0.41) RARBRARAMCL1RARGALDH1A1
SCHEMBL8047124 0.75 EGLN2 (0.38) RARBRARAMCL1KDM1A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0700982-B1 A liquid crystal composition and a liquid crystal display element using the same CHISSO CORP (JP) 2000-04-26 EP disclosed
US-5720899-A Liquid crystalline compound, liquid crystal composition and liquid crystal display element CHISSO CORPORATION (JP) 1998-02-24 US disclosed
US-5653911-A Liquid crystalline compound liquid crystal composition and liquid crystal display element CHISSO CORPORATION (JP) 1997-08-05 US disclosed
EP-0700982-A1 A liquid crystal composition and a liquid crystal display element using the same Chisso Corporation (JP) 1996-03-13 EP disclosed