SCHEMBL8067972

SCHEMBL8067972

CCCCCOCc1ccc(-c2ccc(C(=O)O)cc2)cc1

nearest known ligand 0.65

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RARB P10826 10/20 0.65
MEN1 O00255 1/20 0.63
ALDH1A1 P00352 1/20 0.63
RARA P10276 1/20 0.63
MAPT P10636 1/20 0.63
MTOR P42345 1/20 0.63
KMT2A Q03164 1/20 0.63
PLA2G4B P0C869 3/20 0.61
TP53 P04637 1/20 0.56
TSHR P16473 1/20 0.56
PTPN11 Q06124 1/20 0.56
PLA2G4A P47712 1/20 0.50

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
SCHEMBL1749669 0.95 PLA2G4B (0.65) RARBMEN1ALDH1A1RARAMAPT
SCHEMBL15153312 0.94 PLA2G4B (0.67) RARBMEN1ALDH1A1RARAMAPT
SCHEMBL9321559 0.94 PLA2G4B (0.67) RARBMEN1ALDH1A1RARAMAPT
SCHEMBL1750568 0.91 PLA2G4B (0.63) RARBALDH1A1PLA2G4BTP53TSHR
SCHEMBL8063686 0.87 RARB (0.48) RARBMEN1ALDH1A1RARAMAPT
SCHEMBL9330520 0.85 RARB (0.73) RARBMEN1ALDH1A1RARAMAPT
SCHEMBL5954226 0.84 RARB (0.66) RARBMEN1ALDH1A1RARAMAPT
SCHEMBL1749934 0.84 ALDH1A1 (0.57) RARBALDH1A1PLA2G4BTP53TSHR
SCHEMBL4448578 0.83 RARB (0.84) RARBPLA2G4BTP53TSHRPTPN11
SCHEMBL10334335 0.83 RARB (0.84) RARBPLA2G4BTP53TSHRPTPN11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1010687-A2 Ester derivative, liquid crystal composition and liquid crystal display element Chisso Corporation (JP) 2000-06-21 EP disclosed
US-5755994-A LARGE DIELECTRIC ANISOTROPIC CHISSO CORPORATION (JP) 1998-05-26 US disclosed
EP-0738709-A2 Ester derivate, liquid crystal composition and liquid crystal display element Chisso Corporation (JP) 1996-10-23 EP disclosed