SCHEMBL8036183

SCHEMBL8036183

CCCCCOCc1ccc(C(=O)O)c(-c2ccc(C#N)c(F)c2)c1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RARB P10826 5/20 0.48
RARA P10276 3/20 0.48
RARG P13631 2/20 0.47
ALDH1A1 P00352 1/20 0.43
HPGD P15428 1/20 0.43
MCL1 Q07820 1/20 0.42
PTPN11 Q06124 3/20 0.41
KDM1A O60341 1/20 0.39
PTPN1 P18031 1/20 0.39
PTPN6 P29350 1/20 0.39
LTB4R2 Q9NPC1 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
SCHEMBL8036065 0.97 RARB (0.52) RARBRARARARGALDH1A1HPGD
SCHEMBL8049055 0.93 RARB (0.43) RARBRARARARGMCL1KDM1A
SCHEMBL8034247 0.89 CYP11B1 (0.41) RARBRARARARGKDM1A
SCHEMBL7516262 0.86 RARB (0.60) RARBRARARARGALDH1A1MCL1
SCHEMBL4651808 0.85 RARB (0.55) RARBRARARARGMCL1LTB4R2
SCHEMBL7511320 0.83 RARB (0.48) RARBRARARARGMCL1KDM1A
SCHEMBL6267138 0.83 RARB (0.44) RARBRARARARGKDM1A
SCHEMBL8045318 0.81 RARB (0.41) RARBRARARARGALDH1A1HPGD
SCHEMBL8048358 0.78 RARB (0.44) RARBRARARARGALDH1A1HPGD
SCHEMBL7514456 0.75 RARB (0.39) RARBRARARARGMCL1KDM1A

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 2 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
EP-0700982-A1 A liquid crystal composition and a liquid crystal display element using the same Chisso Corporation (JP) 1996-03-13 EP disclosed