SCHEMBL7541752

SCHEMBL7541752

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

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ FOLH1 Q04609 2/20 0.39
▸ CTSS P25774 2/20 0.39
▸ CTSK P43235 2/20 0.39
▸ ACE P12821 4/20 0.36
▸ CTSL P07711 1/20 0.35
▸ CACNA1B Q00975 2/20 0.34
▸ MME P08473 1/20 0.34
▸ MMP8 P22894 3/20 0.34
▸ CAPN1 P07384 1/20 0.34
▸ CAPN2 P17655 1/20 0.34
▸ MMP2 P08253 2/20 0.34
▸ MMP9 P14780 2/20 0.34
▸ GRIA1 P42261 3/20 0.34
▸ NPY4R P50391 1/20 0.33

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
SCHEMBL7541746 1.00 FOLH1 (0.39) FOLH1CTSSCTSKACECTSL
SCHEMBL7541757 1.00 FOLH1 (0.39) FOLH1CTSSCTSKACECTSL
SCHEMBL7540480 0.90 ACE (0.43) CTSSCTSKACECTSL
SCHEMBL7538967 0.90 ACE (0.43) CTSSCTSKACECTSL
SCHEMBL7538954 0.90 ACE (0.43) CTSSCTSKACECTSL
SCHEMBL7541488 0.87 FOLH1 (0.40) FOLH1CTSSCTSKACEMME
SCHEMBL7538240 0.83 FOLH1 (0.44) FOLH1CTSSCTSKACEMME
SCHEMBL7539512 0.83 FOLH1 (0.44) FOLH1CTSSCTSKACEMME
SCHEMBL7538838 0.83 FPR2 (0.38) FOLH1ACE
SCHEMBL7541658 0.83 FPR2 (0.38) FOLH1ACE

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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