SCHEMBL7539530

SCHEMBL7539530

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

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ FOLH1 Q04609 1/20 0.45
▸ MAPK1 P28482 1/20 0.41
▸ SLC6A3 Q01959 2/20 0.40
▸ FPR2 P25090 3/20 0.40
▸ FFAR2 O15552 1/20 0.40
▸ GRN P28799 1/20 0.39
▸ SORT1 Q99523 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ LMNA P02545 2/20 0.39
▸ CPB2 Q96IY4 1/20 0.39
▸ UTS2R Q9UKP6 2/20 0.38

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
SCHEMBL7544683 0.93 MAPT (0.45) FOLH1MAPK1FPR2MAPTALDH1A1
SCHEMBL7542294 0.92 MAPK1 (0.41) MAPK1SLC6A3FPR2MAPTALDH1A1
SCHEMBL7542028 0.92 FOLH1 (0.42) FOLH1MAPK1FPR2MAPTALDH1A1
SCHEMBL7545836 0.90 MAPK1 (0.39) FOLH1MAPK1SLC6A3FPR2FFAR2
SCHEMBL7542492 0.90 MAPK1 (0.39) FOLH1MAPK1SLC6A3FPR2FFAR2
SCHEMBL7539003 0.90 MAPK1 (0.38) FOLH1MAPK1FPR2FFAR2GRN
SCHEMBL7542841 0.90 ACE (0.40) FOLH1MAPK1FPR2FFAR2GRN
SCHEMBL7539439 0.89 ANPEP (0.50) SLC6A3FPR2
SCHEMBL7544077 0.88 MAPK1 (0.42) MAPK1FPR2FFAR2GRNSORT1
SCHEMBL7542723 0.88 CTSK (0.38) FOLH1MAPK1SLC6A3FFAR2GRN

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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