SCHEMBL7539858

SCHEMBL7539858

Cc1ccc(NC(=O)Nc2ccc(C(CC(C)C)C(=O)NC(CSCCC(NC(=O)CC(C)(C)C)C(=O)O)C(=O)O)cc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ ACE P12821 3/20 0.39
▸ FPR2 P25090 3/20 0.38
▸ MAPK1 P28482 1/20 0.37
▸ IDO1 P14902 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ LMNA P02545 1/20 0.35
▸ MAPT P10636 1/20 0.34

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
SCHEMBL7545839 1.00 ACE (0.39) ACEFPR2MAPK1IDO1SMN1; SMN2
SCHEMBL7542063 0.94 GAA (0.40) ACEFPR2MAPK1SMN1; SMN2MAPT
SCHEMBL7544141 0.94 GAA (0.40) ACEFPR2MAPK1SMN1; SMN2MAPT
SCHEMBL7541658 0.93 FPR2 (0.38) ACEFPR2SMN1; SMN2ALDH1A1LMNA
SCHEMBL7538838 0.93 FPR2 (0.38) ACEFPR2SMN1; SMN2ALDH1A1LMNA
SCHEMBL7542841 0.92 ACE (0.40) ACEFPR2MAPK1ALDH1A1LMNA
SCHEMBL7540040 0.91 ANPEP (0.46) ACEFPR2MAPK1SMN1; SMN2LMNA
SCHEMBL7545670 0.91 ANPEP (0.46) ACEFPR2MAPK1SMN1; SMN2LMNA
SCHEMBL7542125 0.90 ACE (0.43) ACEFPR2MAPK1SMN1; SMN2ALDH1A1
SCHEMBL7543904 0.90 ACE (0.43) ACEFPR2MAPK1SMN1; SMN2ALDH1A1

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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