SCHEMBL9729751

SCHEMBL9729751

O=C(O)c1cc(Cl)cc2ccc(Cl)c(C(=O)O)c12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.52
TP53 P04637 1/20 0.52
AKR1C4 P17516 1/20 0.46
AKR1C3 P42330 1/20 0.46
AKR1C2 P52895 1/20 0.46
AKR1C1 Q04828 1/20 0.46
DPP4 P27487 1/20 0.44
TSHR P16473 3/20 0.43
CASP1 P29466 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
HSD17B10 Q99714 4/20 0.41
HPGD P15428 2/20 0.41
POLB P06746 2/20 0.41
GPR35 Q9HC97 2/20 0.41
CYP3A4 P08684 1/20 0.41
USP2 O75604 1/20 0.41
ALOX15 P16050 1/20 0.41
ALOX12 P18054 1/20 0.41

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
SCHEMBL11424037 0.77 CYP3A4 (0.50) ALDH1A1TP53AKR1C4AKR1C3AKR1C2
SCHEMBL28159381 0.77 HSD17B10 (0.56) ALDH1A1TP53DPP4TSHRHSD17B10
SCHEMBL11433380 0.77 AKR1C4 (0.54) ALDH1A1TP53AKR1C4AKR1C3AKR1C2
SCHEMBL11435709 0.75 HSD17B10 (0.58) ALDH1A1TP53AKR1C4AKR1C3AKR1C2
SCHEMBL2904787 0.74 DPP4 (0.46) ALDH1A1TP53AKR1C4AKR1C3AKR1C2
SCHEMBL24455 0.73 ALDH1A1 (0.45) ALDH1A1TP53AKR1C4AKR1C3AKR1C2
SCHEMBL29764017 0.73 ALDH1A1 (0.45) ALDH1A1TP53AKR1C4AKR1C3AKR1C2
SCHEMBL31955559 0.72 AKR1C4 (0.58) ALDH1A1TP53AKR1C4AKR1C3AKR1C2
SCHEMBL11424239 0.71 ALDH1A1 (0.55) ALDH1A1TP53AKR1C4AKR1C3AKR1C2
SCHEMBL2897882 0.71 AKR1C4 (0.48) ALDH1A1TP53AKR1C4AKR1C3AKR1C2

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-5145944-A For epoxy resins, cured to protective coating CIBA-GEIGY CORPORATION (US) 1992-09-08 US disclosed