SCHEMBL7544077

SCHEMBL7544077

CC(C)CC(C(=O)NC(Cc1ccccc1CC(NC(=O)CC(C)(C)C)C(=O)O)C(=O)O)c1ccc(NC(=O)Nc2ccc(Cl)cc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 1/20 0.42
▸ REN P00797 1/20 0.40
▸ GAA P10253 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ MMP2 P08253 3/20 0.39
▸ MMP9 P14780 3/20 0.39
▸ MMP7 P09237 1/20 0.39
▸ MMP12 P39900 1/20 0.39
▸ MMP13 P45452 1/20 0.39
▸ UTS2R Q9UKP6 1/20 0.38
▸ MMP1 P03956 1/20 0.38
▸ MMP3 P08254 1/20 0.38
▸ FPR2 P25090 3/20 0.38
▸ MMP8 P22894 2/20 0.38
▸ CNR1 P21554 2/20 0.38
▸ FFAR2 O15552 1/20 0.38
▸ GRN P28799 1/20 0.38
▸ SORT1 Q99523 1/20 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
SCHEMBL7546445 0.95 GAA (0.44) MAPK1RENGAAMAPTHPGD
SCHEMBL7547224 0.92 SMN1; SMN2 (0.41) MAPK1RENGAAMAPTHPGD
SCHEMBL7541819 0.92 ACE (0.41) RENGAAMAPTHPGDRAB9A
SCHEMBL7544754 0.90 FPR2 (0.49) RENRAB9AMMP2MMP9MMP1
SCHEMBL7571661 0.89 CTSK (0.40) MAPK1RENGAAMAPTHPGD
SCHEMBL7539243 0.89 CNR2 (0.45) MAPK1MMP2MMP9MMP7MMP12
SCHEMBL7539530 0.88 FOLH1 (0.45) MAPK1MAPTUTS2RFPR2FFAR2
SCHEMBL7546030 0.88 MEN1 (0.42) MAPK1RENMAPTMMP2MMP1
SCHEMBL7538495 0.88 MAPT (0.37) MAPK1RENGAAMAPTHPGD
SCHEMBL7538494 0.88 MAPT (0.37) MAPK1RENGAAMAPTHPGD

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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