SCHEMBL7541488

SCHEMBL7541488

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

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ FOLH1 Q04609 2/20 0.40
▸ ACE P12821 12/20 0.39
▸ NAALAD2 Q9Y3Q0 1/20 0.36
▸ CTSS P25774 1/20 0.35
▸ CTSK P43235 1/20 0.35
▸ MME P08473 1/20 0.35
▸ REN P00797 1/20 0.35

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
SCHEMBL7538838 0.94 FPR2 (0.38) FOLH1ACENAALAD2
SCHEMBL7541658 0.94 FPR2 (0.38) FOLH1ACENAALAD2
SCHEMBL7538240 0.91 FOLH1 (0.44) FOLH1ACECTSSCTSKMME
SCHEMBL7539512 0.91 FOLH1 (0.44) FOLH1ACECTSSCTSKMME
SCHEMBL7541025 0.91 FOLH1 (0.47) FOLH1ACENAALAD2CTSSCTSK
SCHEMBL7571448 0.88 CTSK (0.35) FOLH1ACECTSSCTSK
SCHEMBL7544141 0.87 GAA (0.40) ACECTSSCTSKREN
SCHEMBL7542063 0.87 GAA (0.40) ACECTSSCTSKREN
SCHEMBL7541752 0.87 FOLH1 (0.39) FOLH1ACECTSSCTSKMME
SCHEMBL7541746 0.87 FOLH1 (0.39) FOLH1ACECTSSCTSKMME

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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