SCHEMBL7516702

SCHEMBL7516702

CCCOCc1ccc(C(=O)O)c(F)c1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RARB P10826 4/20 0.51
RARA P10276 3/20 0.51
RXRA P19793 4/20 0.49
RXRB P28702 3/20 0.49
RXRG P48443 3/20 0.49
RARG P13631 2/20 0.49
EPHX2 P34913 1/20 0.43
NR1H4 Q96RI1 1/20 0.43
CYP4F2 P78329 1/20 0.42
CYP4A11 Q02928 1/20 0.42
MRGPRX4 Q96LA9 1/20 0.41
MAOB P27338 4/20 0.40
PPARA Q07869 2/20 0.40
PPARG P37231 1/20 0.40
MAOA P21397 2/20 0.39
KDM4E B2RXH2 1/20 0.38
PKM P14618 1/20 0.38
MCL1 Q07820 1/20 0.38
SRD5A2 P31213 1/20 0.37

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
SCHEMBL7514414 0.88 RARB (0.40) RARBRARARXRARXRBRXRG
SCHEMBL7517239 0.79 NPC1 (0.39) RARBRARARXRARXRBRXRG
SCHEMBL6550099 0.78 RARB (0.59) RARBRARARXRARXRBRXRG
SCHEMBL21510776 0.78 RARB (0.51) RARBRARARARGPPARAPPARG
SCHEMBL9699535 0.78 PPARA (0.43) RARBRARAPPARAMCL1
SCHEMBL669282 0.78 RARB (0.54) RARBRARARXRARXRBRXRG
SCHEMBL8049055 0.77 RARB (0.43) RARBRARARARGMRGPRX4MCL1
SCHEMBL27663523 0.77 RXRA (0.45) RARBRARARXRARXRBRXRG
SCHEMBL3874777 0.76 RARA (0.63) RARBRARAMRGPRX4MAOBMAOA
SCHEMBL7738951 0.76 RARB (0.60) RARBRARARXRARXRBRXRG

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-0738709-B1 Ester derivate, liquid crystal composition and liquid crystal display element CHISSO CORP (JP) 2002-01-23 EP disclosed
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
CN-1136067-A Liquid crystalline alkynyltolan compound, liquid crystal composition and liquid crystal display element CHISSO CORP (JP) 1996-11-20 CN disclosed
EP-0738709-A2 Ester derivate, liquid crystal composition and liquid crystal display element Chisso Corporation (JP) 1996-10-23 EP disclosed