SCHEMBL11693142

SCHEMBL11693142

O=C(O)c1cc(-c2ccc(F)c(Cl)c2)cc(Cc2ccccc2)c1O

nearest known ligand 0.67

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 7/20 0.67
PTPN2 P17706 2/20 0.57
PTPN6 P29350 2/20 0.57
AKR1C2 P52895 8/20 0.51
AKR1C1 Q04828 8/20 0.51
ALDH1A1 P00352 1/20 0.47
HPGD P15428 1/20 0.47
HSD17B10 Q99714 1/20 0.47
ACMSD Q8TDX5 1/20 0.46
ICMT O60725 1/20 0.44
RPA1 P27694 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
SCHEMBL11693510 0.85 AKR1C2 (0.52) PTPN1PTPN2PTPN6AKR1C2AKR1C1
SCHEMBL9250813 0.81 PTPN1 (1.00) PTPN1PTPN2PTPN6AKR1C2AKR1C1
SCHEMBL11693280 0.81 AKR1C2 (0.66) AKR1C2AKR1C1RPA1
SCHEMBL9251915 0.79 HPGD (0.75) PTPN1PTPN2PTPN6AKR1C2AKR1C1
SCHEMBL11695681 0.77 AKR1C2 (0.58) AKR1C2AKR1C1RPA1
SCHEMBL11692722 0.77 AKR1C2 (0.59) PTPN1PTPN2PTPN6AKR1C2AKR1C1
SCHEMBL3979148 0.74 ACMSD (0.59) ALDH1A1HPGDHSD17B10ACMSDRPA1
SCHEMBL16608990 0.74 RPA1 (0.58) ALDH1A1RPA1
SCHEMBL10724258 0.73 PTPN1 (0.67) PTPN1PTPN2PTPN6AKR1C2AKR1C1
SCHEMBL5444611 0.72 PTPN1 (1.00) PTPN1PTPN2PTPN6ALDH1A1HPGD

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
US-4044049-A Phenyl benzoic acid compounds MERCK & CO., INC. (US) 1977-08-23 US disclosed