SCHEMBL7545845

SCHEMBL7545845

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

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 1/20 0.37
▸ FPR2 P25090 3/20 0.37
▸ ALDH1A1 P00352 3/20 0.36
▸ PYGL P06737 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ IDO1 P14902 1/20 0.36
▸ MAPK14 Q16539 3/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ ANPEP P15144 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ RAF1 P04049 2/20 0.34
▸ 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
SCHEMBL7539416 0.94 GAA (0.40) MAPK1FPR2ALDH1A1PYGLCYP2C9
SCHEMBL7541454 0.93 FOLH1 (0.38) MAPK1FPR2ALDH1A1PYGLCYP2C9
SCHEMBL7539003 0.92 MAPK1 (0.38) MAPK1FPR2ALDH1A1MAPK14ANPEP
SCHEMBL7539173 0.92 ANPEP (0.46) FPR2SMN1; SMN2ANPEP
SCHEMBL7541260 0.90 CTSK (0.36) MAPK1ALDH1A1PYGLCYP2C9SMN1; SMN2
SCHEMBL7566320 0.90 CTSK (0.36) MAPK1ALDH1A1PYGLCYP2C9SMN1; SMN2
SCHEMBL7539437 0.90 MEN1 (0.41) MAPK1FPR2ALDH1A1SMN1; SMN2LMNA
SCHEMBL7542294 0.89 MAPK1 (0.41) MAPK1FPR2ALDH1A1IDO1MAPK14
SCHEMBL7547322 0.87 GAA (0.42) ALDH1A1CYP2C9SMN1; SMN2MAPT
SCHEMBL7540799 0.87 ITGB1 (0.42) MAPK1FPR2ALDH1A1ANPEPMAPT

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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