SCHEMBL10340829

SCHEMBL10340829

CCCCCCCCOc1ccc(-c2cccc(C(C)CCCCCC)c2C(=O)O)cc1

nearest known ligand 0.52

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
RARB P10826 4/20 0.52
TP53 P04637 1/20 0.49
TSHR P16473 1/20 0.49
PLA2G4B P0C869 7/20 0.48
PTPN11 Q06124 4/20 0.47
PLA2G4A P47712 1/20 0.44

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
SCHEMBL10865254 0.83 RARB (0.54) RARBTP53TSHRPLA2G4BPTPN11
SCHEMBL9688532 0.83 RARB (0.54) RARBTP53TSHRPLA2G4BPTPN11
SCHEMBL10696052 0.81 RARB (0.59) RARBTP53TSHRPLA2G4BPTPN11
SCHEMBL9509930 0.80 RARB (0.61) RARBTP53TSHRPLA2G4BPTPN11
SCHEMBL10865252 0.76 RARB (0.53) RARBTP53TSHRPLA2G4BPTPN11
SCHEMBL9688524 0.76 RARB (0.53) RARBTP53TSHRPLA2G4BPTPN11
SCHEMBL5511949 0.76 ALDH1A1 (0.52)
SCHEMBL10335968 0.75 MMP9 (0.47) RARBTP53TSHRPLA2G4BPTPN11
SCHEMBL10336776 0.75 MMP9 (0.47) RARBTP53TSHRPLA2G4BPTPN11
SCHEMBL10336766 0.75 MMP9 (0.47) RARBTP53TSHRPLA2G4BPTPN11

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-0210215-B1 FLUORINATED PHENYL ESTERS AND LIQUID CRYSTAL MATERIALS AND DEVICES CONTAINING THEM The Secretary of State for Defence in Her Britannic Majesty's Government of the United Kingdom of Great Britain and (GB) 1990-03-14 EP disclosed
EP-0210215-A1 Fluorinated phenyl esters and liquid crystal materials and devices containing them. SECR DEFENCE BRIT (GB) 1987-02-04 EP disclosed
WO-1986004327-A1 BIPHENYL ESTERS AND LIQUID CRYSTAL MATERIALS AND DEVICES CONTAINING THEM THE SECRETARY OF STATE FOR DEFENCE IN HER BRITANNI (GB) 1986-07-31 WO disclosed