SCHEMBL7538240

SCHEMBL7538240

CC(C)C[C@@H](C(=O)N[C@@H](CSSC[C@H](NC(=O)CC(C)(C)C)C(=O)O)C(=O)O)c1ccc(O)cc1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ FOLH1 Q04609 3/20 0.44
▸ ACE P12821 5/20 0.39
▸ CTSS P25774 1/20 0.38
▸ CTSK P43235 1/20 0.38
▸ MME P08473 5/20 0.38
▸ REN P00797 1/20 0.37
▸ MMP2 P08253 1/20 0.36
▸ MMP7 P09237 1/20 0.36
▸ MMP9 P14780 1/20 0.36
▸ MMP12 P39900 1/20 0.36
▸ MMP13 P45452 1/20 0.36
▸ MMP1 P03956 1/20 0.36
▸ FCER2 P06734 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
SCHEMBL7539512 1.00 FOLH1 (0.44) FOLH1ACECTSSCTSKMME
SCHEMBL7541488 0.91 FOLH1 (0.40) FOLH1ACECTSSCTSKMME
SCHEMBL7538838 0.85 FPR2 (0.38) FOLH1ACE
SCHEMBL7541658 0.85 FPR2 (0.38) FOLH1ACE
SCHEMBL7541752 0.83 FOLH1 (0.39) FOLH1ACECTSSCTSKMME
SCHEMBL7541746 0.83 FOLH1 (0.39) FOLH1ACECTSSCTSKMME
SCHEMBL7541757 0.83 FOLH1 (0.39) FOLH1ACECTSSCTSKMME
SCHEMBL7542028 0.82 FOLH1 (0.42) FOLH1
SCHEMBL7545146 0.81 MMP2 (0.44) FOLH1ACEMMP2MMP7MMP9
SCHEMBL7541126 0.81 MMP2 (0.44) FOLH1ACEMMP2MMP7MMP9

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-1209147-A1 CARBOXYLIC ACID DERIVATIVES AND ADHESION MOLECULE INHIBITORS CONTAINING THE SAME AS THE ACTIVE INGREDIENT TORAY INDUSTRIES, INC. (JP) 2002-05-29 — — EP disclosed
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