SCHEMBL8048282

SCHEMBL8048282

CC=CCCc1ccc(C(=O)O)c(-c2ccc(C#N)c(F)c2)c1

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 3/20 0.42
SLC22A12 Q96S37 1/20 0.41
RARB P10826 2/20 0.39
RARA P10276 1/20 0.39
RARG P13631 1/20 0.39
CYP11B1 P15538 1/20 0.38
CYP11B2 P19099 1/20 0.38
KDM1A O60341 10/20 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
SCHEMBL8053338 0.87 RARB (0.38) S1PR1SLC22A12RARBRARARARG
SCHEMBL28734245 0.87 RARB (0.38) S1PR1SLC22A12RARBRARARARG
SCHEMBL9192514 0.87 SLC22A12 (0.40) S1PR1SLC22A12RARBRARARARG
SCHEMBL7511320 0.85 RARB (0.48) S1PR1SLC22A12RARBRARARARG
SCHEMBL4651808 0.84 RARB (0.55) SLC22A12RARBRARARARG
SCHEMBL6267138 0.83 RARB (0.44) SLC22A12RARBRARARARGCYP11B1
SCHEMBL7516262 0.83 RARB (0.60) SLC22A12RARBRARARARG
SCHEMBL8034247 0.78 CYP11B1 (0.41) SLC22A12RARBRARARARGCYP11B1
SCHEMBL6567162 0.77 RARB (0.46) RARBRARARARG
SCHEMBL6567164 0.77 RARB (0.46) RARBRARARARG

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