SCHEMBL8034247

SCHEMBL8034247

CCOCc1ccc(C(=O)O)c(-c2ccc(C#N)c(F)c2)c1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 2/20 0.41
CYP11B2 P19099 2/20 0.41
RARB P10826 3/20 0.40
RARA P10276 2/20 0.40
RARG P13631 1/20 0.40
SLC22A12 Q96S37 1/20 0.40
XDH P47989 2/20 0.40
KDM1A O60341 1/20 0.39
MRGPRX4 Q96LA9 1/20 0.39
RXRA P19793 1/20 0.39
RXRB P28702 1/20 0.39
RXRG P48443 1/20 0.39

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
SCHEMBL8049055 0.91 RARB (0.43) CYP11B1CYP11B2RARBRARARARG
SCHEMBL8036065 0.89 RARB (0.52) RARBRARARARGKDM1A
SCHEMBL8036183 0.89 RARB (0.48) RARBRARARARGKDM1A
SCHEMBL6267138 0.87 RARB (0.44) CYP11B1CYP11B2RARBRARARARG
SCHEMBL7511320 0.85 RARB (0.48) CYP11B1CYP11B2RARBRARARARG
SCHEMBL4651808 0.83 RARB (0.55) RARBRARARARGSLC22A12
SCHEMBL7516262 0.82 RARB (0.60) RARBRARARARGSLC22A12
SCHEMBL8048282 0.78 S1PR1 (0.42) CYP11B1CYP11B2RARBRARARARG
SCHEMBL8046380 0.78 EGLN2 (0.39) CYP11B1CYP11B2SLC22A12XDHKDM1A
SCHEMBL9192514 0.78 SLC22A12 (0.40) CYP11B1CYP11B2RARBRARARARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0805134-B1 NOVEL LIQUID-CRYSTAL COMPOUNDS BEARING DIENYL MOIETY AND LIQUID-CRYSTAL COMPOSITION CHISSO CORP (JP) 2000-08-30 EP disclosed
EP-0733692-B1 Liquid crystalline compound, liquid crystal composition containing the same, and display device CHISSO CORP (JP) 2000-06-14 EP disclosed
US-5720899-A Liquid crystalline compound, liquid crystal composition and liquid crystal display element CHISSO CORPORATION (JP) 1998-02-24 US disclosed
EP-0805134-A1 NOVEL LIQUID-CRYSTAL COMPOUNDS BEARING DIENYL MOIETY AND LIQUID-CRYSTAL COMPOSITION CHISSO CORPORATION (JP) 1997-11-05 EP disclosed
US-5653911-A Liquid crystalline compound liquid crystal composition and liquid crystal display element CHISSO CORPORATION (JP) 1997-08-05 US disclosed