SCHEMBL7540040

SCHEMBL7540040

COc1ccc(NC(=O)Nc2ccc(C(CC(C)C)C(=O)NC(CCSCC(NC(=O)CC(C)(C)C)C(=O)O)C(=O)O)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ANPEP P15144 1/20 0.46
▸ ACE P12821 2/20 0.42
▸ MAPK1 P28482 1/20 0.40
▸ RAB9A P51151 2/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ FPR2 P25090 2/20 0.39
▸ LMNA P02545 2/20 0.37
▸ ATM Q13315 1/20 0.37
▸ MMP1 P03956 3/20 0.37
▸ PPARG P37231 1/20 0.37
▸ PPARA Q07869 1/20 0.37
▸ GAA P10253 1/20 0.36
▸ CASR P41180 1/20 0.36
▸ NPC1 O15118 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ MMP3 P08254 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
SCHEMBL7545670 1.00 ANPEP (0.46) ANPEPACEMAPK1RAB9AMEN1
SCHEMBL7544141 0.92 GAA (0.40) ACEMAPK1RAB9AFPR2GAA
SCHEMBL7542063 0.92 GAA (0.40) ACEMAPK1RAB9AFPR2GAA
SCHEMBL7538838 0.91 FPR2 (0.38) ANPEPACERAB9AFPR2LMNA
SCHEMBL7541658 0.91 FPR2 (0.38) ANPEPACERAB9AFPR2LMNA
SCHEMBL7539858 0.91 ACE (0.39) ACEMAPK1FPR2LMNASMN1; SMN2
SCHEMBL7545839 0.91 ACE (0.39) ACEMAPK1FPR2LMNASMN1; SMN2
SCHEMBL7542841 0.90 ACE (0.40) ACEMAPK1FPR2LMNAATM
SCHEMBL7539439 0.90 ANPEP (0.50) ANPEPRAB9AMEN1KMT2AFPR2
SCHEMBL7563255 0.90 ACE (0.38) ANPEPACEMAPK1FPR2LMNA

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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