SCHEMBL27868387

SCHEMBL27868387

O=C(Nc1ccc(Cl)cc1C(=O)O)c1cc2ccocc-2c1

nearest known ligand 0.83

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ SERPINE1 P05121 16/20 0.83
▸ AKR1C4 P17516 1/20 0.56
▸ AKR1C3 P42330 1/20 0.56
▸ AKR1C2 P52895 1/20 0.56
▸ AKR1C1 Q04828 1/20 0.56
▸ CA12 O43570 1/20 0.55
▸ CA1 P00915 1/20 0.55
▸ CA2 P00918 1/20 0.55
▸ CA7 P43166 1/20 0.55
▸ CA9 Q16790 1/20 0.55
▸ KDM4E B2RXH2 1/20 0.51
▸ HSD17B10 Q99714 1/20 0.51
▸ KCNK2 O95069 1/20 0.51
▸ KCNK10 P57789 1/20 0.51

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
SCHEMBL420979 0.91 SERPINE1 (1.00) SERPINE1AKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL419057 0.78 SERPINE1 (0.78) SERPINE1AKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL415869 0.78 SERPINE1 (1.00) SERPINE1AKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL1015149 0.78 SERPINE1 (1.00) SERPINE1AKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL29492571 0.78 SERPINE1 (1.00) SERPINE1AKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL420897 0.77 SERPINE1 (0.74) SERPINE1AKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL6351321 0.77 SERPINE1 (0.89) SERPINE1AKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL418577 0.76 SERPINE1 (0.73) SERPINE1AKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL1012706 0.76 SERPINE1 (0.80) SERPINE1AKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL421010 0.75 SERPINE1 (1.00) SERPINE1AKR1C4AKR1C3AKR1C2AKR1C1

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
CN-102378753-A Plasminogen activator inhibitor-1 inhibitor RENASCIENCE CO LTD 2012-03-14 — — CN disclosed
Send feedback