SCHEMBL17530241

SCHEMBL17530241

CCN(C(=O)CCC(=O)Nc1ccc(Cl)cc1C(=O)O)c1cc(-c2ccoc2)ccc1C

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ SERPINE1 P05121 7/20 0.52
▸ TSHR P16473 1/20 0.39
▸ GAA P10253 2/20 0.39
▸ POLB P06746 2/20 0.39
▸ KDM4E B2RXH2 6/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ MEN1 O00255 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ HCAR2 Q8TDS4 1/20 0.36
▸ GSK3B P49841 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ PKM P14618 1/20 0.36

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
SCHEMBL1014871 0.95 SERPINE1 (0.51) SERPINE1TSHRGAAPOLBKDM4E
SCHEMBL1013740 0.90 SERPINE1 (0.51) SERPINE1GAAKDM4EALDH1A1HSD17B10
SCHEMBL1013661 0.89 SERPINE1 (0.59) SERPINE1GAAPOLBKDM4EALDH1A1
SCHEMBL1013863 0.87 SERPINE1 (0.44) SERPINE1TSHRGAAPOLBKDM4E
SCHEMBL1015677 0.82 KDM4E (0.44) SERPINE1TSHRGAAPOLBKDM4E
SCHEMBL1015621 0.82 SERPINE1 (0.50) SERPINE1POLBKDM4EALDH1A1HSD17B10
SCHEMBL1013719 0.82 SERPINE1 (0.44) SERPINE1GAAPOLBKDM4EALDH1A1
SCHEMBL1015571 0.82 SERPINE1 (0.59) SERPINE1TSHRGAAPOLBKDM4E
SCHEMBL1013304 0.78 SERPINE1 (0.59) SERPINE1GAAPOLBKDM4EALDH1A1
SCHEMBL1014912 0.78 MEN1 (0.42) SERPINE1GAAKDM4EALDH1A1HSD17B10

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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