SCHEMBL6236728

SCHEMBL6236728

O=C(O)Cc1ccccc1OCc1ccc(F)cc1Cl

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FABP4 P15090 2/20 0.60
FABP5 Q01469 2/20 0.60
POLB P06746 2/20 0.54
DUSP3 P51452 1/20 0.54
PTPN5 P54829 1/20 0.54
PTPN11 Q06124 1/20 0.54
CTDSP1 Q9GZU7 1/20 0.54
SAE1 Q9UBE0 1/20 0.54
UBA2 Q9UBT2 1/20 0.54
CXCL8 P10145 2/20 0.54
CAMK2A Q9UQM7 2/20 0.53
ALDH1A1 P00352 1/20 0.52
ALOX15 P16050 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
HSD17B10 Q99714 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
PTGER1 P34995 5/20 0.52
CYP1A2 P05177 2/20 0.52
CYP3A4 P08684 2/20 0.52
CYP2C9 P11712 2/20 0.52

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
SCHEMBL30911087 0.81 MEN1 (0.52) POLBDUSP3PTPN5PTPN11CTDSP1
SCHEMBL1699587 0.81 MEN1 (0.52) POLBDUSP3PTPN5PTPN11CTDSP1
SCHEMBL2395263 0.79 PTGER1 (0.56) CXCL8CAMK2AL3MBTL1PTGER1CFD
SCHEMBL5092502 0.79 CFD (0.58) FABP4FABP5CXCL8ALDH1A1L3MBTL1
SCHEMBL6241934 0.78 POLB (0.56) POLBDUSP3PTPN5PTPN11CTDSP1
SCHEMBL7787950 0.77 FABP4 (0.69) FABP4FABP5CXCL8CAMK2APTGER1
SCHEMBL2292252 0.76 TP53 (0.62) FABP4FABP5ALDH1A1TP53HTT
SCHEMBL29118568 0.76 ALDH1A1 (0.48) FABP4FABP5POLBDUSP3PTPN5
SCHEMBL21462276 0.76 L3MBTL1 (0.48) FABP4FABP5POLBDUSP3PTPN5
SCHEMBL5664165 0.75 FABP4 (1.00) FABP4FABP5CXCL8CAMK2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2005009104-A2 BENZOIC AND PHENYL ACETIC ACID DERIVATIVES AS HNF-4 MODULATORS LIGAND PHARMACUETICALS INCORPORATED (US) 2005-02-03 WO claimed