SCHEMBL7542841

SCHEMBL7542841

CC(C)CC(C(=O)NC(CCSCC(NC(=O)CC(C)(C)C)C(=O)O)C(=O)O)c1ccc(NC(=O)Nc2ccc(Cl)cc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ACE P12821 2/20 0.40
▸ MAPK1 P28482 1/20 0.38
▸ FPR2 P25090 3/20 0.38
▸ FOLH1 Q04609 1/20 0.37
▸ FFAR2 O15552 1/20 0.36
▸ LMNA P02545 2/20 0.36
▸ ATM Q13315 1/20 0.36
▸ GRN P28799 1/20 0.36
▸ SORT1 Q99523 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.35
▸ UTS2R Q9UKP6 2/20 0.35
▸ PPARG P37231 1/20 0.35
▸ PPARA Q07869 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
SCHEMBL7542063 0.93 GAA (0.40) ACEMAPK1FPR2
SCHEMBL7544141 0.93 GAA (0.40) ACEMAPK1FPR2
SCHEMBL7545839 0.92 ACE (0.39) ACEMAPK1FPR2LMNAALDH1A1
SCHEMBL7539858 0.92 ACE (0.39) ACEMAPK1FPR2LMNAALDH1A1
SCHEMBL7538838 0.92 FPR2 (0.38) ACEFPR2FOLH1LMNAATM
SCHEMBL7541658 0.92 FPR2 (0.38) ACEFPR2FOLH1LMNAATM
SCHEMBL7540040 0.90 ANPEP (0.46) ACEMAPK1FPR2LMNAATM
SCHEMBL7545670 0.90 ANPEP (0.46) ACEMAPK1FPR2LMNAATM
SCHEMBL7539530 0.90 FOLH1 (0.45) MAPK1FPR2FOLH1FFAR2LMNA
SCHEMBL7566382 0.89 ACE (0.36) ACEMAPK1FOLH1FFAR2GRN

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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