SCHEMBL6130847

SCHEMBL6130847

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

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ADAMTS4 O75173 1/20 0.40
▸ 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
▸ ATM Q13315 2/20 0.34
▸ L3MBTL1 Q9Y468 2/20 0.34
▸ CFD P00746 1/20 0.33
▸ LOXL2 Q9Y4K0 1/20 0.33
▸ ADRA1D P25100 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ CYP1A2 P05177 1/20 0.32
▸ FFAR1 O14842 1/20 0.32
▸ ANPEP P15144 1/20 0.32
▸ ERAP1 Q9NZ08 1/20 0.32
▸ BACE1 P56817 1/20 0.32

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
SCHEMBL5199800 0.86 MMP2 (0.39) ADAMTS4MMP2MMP7MMP9MMP8
SCHEMBL6130890 0.85 ALDH1A1 (0.43) ADAMTS4MMP2MMP7MMP9MMP8
SCHEMBL2352197 0.79 ADAMTS4 (0.42) ADAMTS4MMP2MMP7MMP9MMP8
SCHEMBL2353236 0.69 MMP2 (0.49) ADAMTS4MMP2MMP7MMP9MMP8
SCHEMBL2354741 0.69 SLC1A3 (0.41) ADAMTS4MMP2MMP7MMP9MMP8
SCHEMBL23752597 0.69 MMP2 (0.49) ADAMTS4MMP2MMP7MMP9MMP8
SCHEMBL2353188 0.68 ADAMTS4 (0.40) ADAMTS4MMP2MMP7MMP9MMP8
SCHEMBL23752492 0.67 ANPEP (0.41) ADAMTS4MMP2MMP7MMP9MMP8
SCHEMBL23752491 0.67 ANPEP (0.41) ADAMTS4MMP2MMP7MMP9MMP8
SCHEMBL2353264 0.67 ANPEP (0.41) ADAMTS4MMP2MMP7MMP9MMP8

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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