SCHEMBL1012592

SCHEMBL1012592

O=C(COCC(=O)Nc1ccc(Cl)cc1C(=O)O)Nc1ccc(C2CCCCC2)cc1.[NaH]

nearest known ligand 0.64

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SERPINE1 P05121 5/20 0.64
MITF O75030 1/20 0.47
KLF5 Q13887 1/20 0.47
POLB P06746 1/20 0.45
G6PD P11413 1/20 0.45
KDM4E B2RXH2 3/20 0.44
HSD17B10 Q99714 2/20 0.44
ALDH1A1 P00352 2/20 0.43
HPGD P15428 2/20 0.43
IDO1 P14902 1/20 0.43
KCNJ6 P48051 1/20 0.43
KCNJ3 P48549 1/20 0.43
GAA P10253 1/20 0.42
NPC1 O15118 1/20 0.42
USP2 O75604 1/20 0.42

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
SCHEMBL1015276 0.99 SERPINE1 (0.65) SERPINE1MITFKLF5POLBG6PD
SCHEMBL1012593 0.89 SERPINE1 (0.52) SERPINE1MITFKLF5ALDH1A1HPGD
SCHEMBL1013722 0.89 SERPINE1 (0.52) SERPINE1MITFKLF5KDM4EHSD17B10
SCHEMBL1015307 0.88 SERPINE1 (0.64) SERPINE1POLBG6PDKDM4EHSD17B10
SCHEMBL1015323 0.87 SERPINE1 (0.65) SERPINE1MITFKLF5KDM4EHSD17B10
SCHEMBL419999 0.85 SERPINE1 (0.66) SERPINE1POLBG6PDALDH1A1KCNJ6
SCHEMBL1797569 0.84 SERPINE1 (0.56) SERPINE1POLBG6PDKDM4EHSD17B10
SCHEMBL1015522 0.82 RAB9A (0.55) SERPINE1POLBG6PDKDM4EHSD17B10
SCHEMBL1013771 0.80 SERPINE1 (0.49) SERPINE1POLBG6PDKDM4EHSD17B10
SCHEMBL1015397 0.79 SERPINE1 (0.50) SERPINE1POLBG6PDKDM4EHSD17B10

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-2990057-B1 PAI-1 INHIBITOR FOR USE IN ENHANCING THE ANTITUMOR EFFECT OF AN ANTITUMOR AGENT IN A PATIENT RENASCIENCE CO LTD (JP) 2019-03-20 EP disclosed
EP-2990057-A1 NOVEL USE FOR PAI-1 INHIBITOR Renascience Co., Ltd. (JP) 2016-03-02 EP disclosed
EP-2272822-A1 INHIBITOR OF PLASMINOGEN ACTIVATOR INHIBITOR-1 Renascience CO., LTD. (JP) 2011-01-12 EP disclosed