SCHEMBL6130890

SCHEMBL6130890

CC(C)C(NS(=O)(=O)c1cccs1)P(=O)(O)C(CC(=O)O)c1cccc(CN)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.43
▸ PTGER3 P43115 1/20 0.42
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ MAPT P10636 3/20 0.40
▸ TP53 P04637 3/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ SLC1A3 P43003 1/20 0.39
▸ SLC1A2 P43004 1/20 0.39
▸ SLC1A1 P43005 1/20 0.39
▸ THRB P10828 1/20 0.38
▸ ADAMTS4 O75173 1/20 0.38
▸ HTT P42858 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ MMP2 P08253 1/20 0.37
▸ MMP7 P09237 1/20 0.37
▸ MMP9 P14780 1/20 0.37
▸ MMP8 P22894 1/20 0.37
▸ MMP13 P45452 1/20 0.37
▸ MMP14 P50281 1/20 0.37

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
SCHEMBL6130847 0.85 ADAMTS4 (0.40) ALDH1A1ADAMTS4MMP2MMP7MMP9
SCHEMBL2352464 0.82 ALDH1A1 (0.43) ALDH1A1PTGER3MEN1KMT2AMAPT
SCHEMBL5199800 0.81 MMP2 (0.39) ADAMTS4MMP2MMP7MMP9MMP8
SCHEMBL23752597 0.67 MMP2 (0.49) ALDH1A1ADAMTS4MMP2MMP7MMP9
SCHEMBL2353236 0.67 MMP2 (0.49) ALDH1A1ADAMTS4MMP2MMP7MMP9
SCHEMBL2352197 0.66 ADAMTS4 (0.42) ADAMTS4MMP2MMP7MMP9MMP8
SCHEMBL2354151 0.65 ADAMTS4 (0.58) ADAMTS4MMP2MMP7MMP9MMP8
SCHEMBL2353188 0.65 ADAMTS4 (0.40) ADAMTS4MMP2MMP7MMP9MMP8
SCHEMBL23752492 0.64 ANPEP (0.41) ALDH1A1ADAMTS4MMP2MMP7MMP9
SCHEMBL23752491 0.64 ANPEP (0.41) ALDH1A1ADAMTS4MMP2MMP7MMP9

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1497300-A2 PLASMA CARBOXYPEPTIDASE B INHIBITORS Schering Aktiengesellschaft (DE) 2005-01-19 — — EP disclosed
WO-2003080631-A2 PLASMA CARBOXYPEPTIDASE B INHIBITORS SCHERING AKTIENGESELLSCHAFT (DE) 2003-10-02 — — WO disclosed
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