SCHEMBL10340830

SCHEMBL10340830

CCCCCCCCOc1ccc(-c2ccccc2C(=O)O)c(C(C)CCCCCC)c1

nearest known ligand 0.73

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 6/20 0.73
PLK1 P53350 1/20 0.47
ALDH1A1 P00352 1/20 0.47
TP53 P04637 1/20 0.45
TSHR P16473 1/20 0.45
PLA2G4B P0C869 4/20 0.45
PDK2 Q15119 1/20 0.43
RARB P10826 1/20 0.43

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
SCHEMBL27245982 0.85 PTPN11 (1.00) PTPN11PLK1TP53TSHRPLA2G4B
SCHEMBL9688516 0.84 PTPN11 (0.71) PTPN11PLK1TP53TSHRPLA2G4B
SCHEMBL10865251 0.84 PTPN11 (0.71) PTPN11PLK1TP53TSHRPLA2G4B
SCHEMBL9688537 0.77 PTPN11 (0.74) PTPN11PLK1TP53TSHRPLA2G4B
SCHEMBL9407174 0.76 PTPN11 (0.74) PTPN11PLK1ALDH1A1TP53TSHR
SCHEMBL10397754 0.76 PTPN11 (0.74) PTPN11PLK1ALDH1A1TP53TSHR
SCHEMBL6265322 0.76 PTPN11 (0.74) PTPN11PLK1ALDH1A1TP53TSHR
SCHEMBL17835424 0.76 PTPN11 (0.74) PTPN11PLK1ALDH1A1TP53TSHR
SCHEMBL9723854 0.76 PTPN11 (0.74) PTPN11PLK1ALDH1A1TP53TSHR
SCHEMBL8081703 0.76 PTPN11 (0.74) PTPN11PLK1ALDH1A1TP53TSHR

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