SCHEMBL17530215

SCHEMBL17530215

O=C(COCC(=O)N1CCCCC1Oc1ccc(Cc2ccccc2)cc1)Nc1ccc(Cl)cc1C(=O)O.[Na]

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ SERPINE1 P05121 4/20 0.52
▸ POLB P06746 2/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ KDM4E B2RXH2 2/20 0.41
▸ LMNA P02545 1/20 0.41
▸ G6PD P11413 1/20 0.41
▸ THRB P10828 1/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ TP53 P04637 2/20 0.39
▸ CPT1A P50416 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ DVL1 O14640 1/20 0.38

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
SCHEMBL1798359 0.99 SERPINE1 (0.53) SERPINE1POLBALDH1A1KDM4ELMNA
SCHEMBL1796188 0.92 SERPINE1 (0.45) SERPINE1POLBALDH1A1KDM4ELMNA
SCHEMBL1796032 0.92 SERPINE1 (0.45) SERPINE1POLBALDH1A1KDM4ELMNA
SCHEMBL1798357 0.83 SERPINE1 (0.62) SERPINE1POLBALDH1A1KDM4ELMNA
SCHEMBL1796031 0.76 SERPINE1 (0.53) SERPINE1POLBALDH1A1KDM4ELMNA
SCHEMBL1796187 0.76 SERPINE1 (0.53) SERPINE1POLBALDH1A1KDM4ELMNA
SCHEMBL1798356 0.71 SERPINE1 (0.71) SERPINE1POLBALDH1A1KDM4EG6PD
SCHEMBL1015522 0.71 RAB9A (0.55) SERPINE1POLBALDH1A1KDM4ELMNA
SCHEMBL1014856 0.70 SERPINE1 (0.51) SERPINE1POLBALDH1A1KDM4ELMNA
SCHEMBL1015397 0.70 SERPINE1 (0.50) SERPINE1POLBALDH1A1KDM4EG6PD

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
EP-2990057-A1 NOVEL USE FOR PAI-1 INHIBITOR Renascience Co., Ltd. (JP) 2016-03-02 — — EP disclosed
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