SCHEMBL7541814

SCHEMBL7541814

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

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 1/20 0.38
▸ FPR2 P25090 3/20 0.37
▸ IDO1 P14902 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ CASR P41180 1/20 0.35
▸ ALDH1A1 P00352 3/20 0.35
▸ LMNA P02545 1/20 0.35
▸ MAPT P10636 2/20 0.35
▸ CSGALNACT1 Q8TDX6 1/20 0.35
▸ SLC6A3 Q01959 1/20 0.34
▸ MAPK14 Q16539 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ ANPEP P15144 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
SCHEMBL7541941 0.94 GAA (0.41) MAPK1FPR2ALDH1A1LMNAMAPT
SCHEMBL7541062 0.93 FOLH1 (0.39) MAPK1FPR2SMN1; SMN2ALDH1A1LMNA
SCHEMBL7541860 0.93 FOLH1 (0.39) MAPK1FPR2SMN1; SMN2ALDH1A1LMNA
SCHEMBL7542492 0.92 MAPK1 (0.39) MAPK1FPR2CASRALDH1A1LMNA
SCHEMBL7545836 0.92 MAPK1 (0.39) MAPK1FPR2CASRALDH1A1LMNA
SCHEMBL7541671 0.91 ANPEP (0.46) FPR2SMN1; SMN2CASRCSGALNACT1RAB9A
SCHEMBL7542294 0.90 MAPK1 (0.41) MAPK1FPR2IDO1SMN1; SMN2ALDH1A1
SCHEMBL7538130 0.89 MEN1 (0.41) MAPK1FPR2SMN1; SMN2ALDH1A1LMNA
SCHEMBL7565898 0.89 CTSK (0.36) MAPK1SMN1; SMN2ALDH1A1LMNAMAPT
SCHEMBL7567146 0.89 CTSK (0.36) MAPK1SMN1; SMN2ALDH1A1LMNAMAPT

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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