SCHEMBL7538662

SCHEMBL7538662

CC(C)CC(NC(=O)Cc1ccc(NC(=NC#N)Nc2ccc(Cl)cc2)cc1)C(=O)NC(CCCCC(NC(=O)CC(C)(C)C)C(=O)O)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GRN P28799 1/20 0.40
▸ SORT1 Q99523 1/20 0.40
▸ CTSL P07711 2/20 0.39
▸ CTSS P25774 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ KEAP1 Q14145 1/20 0.36
▸ NFE2L2 Q16236 1/20 0.36
▸ P2RX7 Q99572 2/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ MAPT P10636 1/20 0.35
▸ MMP3 P08254 2/20 0.35
▸ FOLH1 Q04609 1/20 0.35
▸ MMP2 P08253 2/20 0.35
▸ MMP1 P03956 1/20 0.35
▸ NPY1R P25929 1/20 0.35
▸ NPY2R P49146 1/20 0.35
▸ NPY4R P50391 1/20 0.35
▸ ITGB1 P05556 2/20 0.35
▸ ITGA4 P13612 2/20 0.35

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
SCHEMBL7540003 0.94 CTSL (0.44) CTSLMAPTMMP3MMP2MMP1
SCHEMBL7544736 0.93 NPY4R (0.42) CTSLMAPTMMP3FOLH1MMP2
SCHEMBL7547038 0.93 P2RX7 (0.40) CTSLALDH1A1KEAP1NFE2L2P2RX7
SCHEMBL7538484 0.92 GRN (0.37) GRNSORT1CTSLCTSSALDH1A1
SCHEMBL7541663 0.92 ANPEP (0.44) CTSLCTSSALDH1A1LMNAP2RX7
SCHEMBL7541917 0.92 GRN (0.39) GRNSORT1CTSLCTSSALDH1A1
SCHEMBL7543417 0.90 CTSL (0.41) GRNSORT1CTSLCTSSP2RX7
SCHEMBL7539575 0.89 CTSL (0.39) GRNSORT1CTSLCTSSALDH1A1
SCHEMBL7544678 0.89 CTSL (0.39) CTSLALDH1A1KMT2AMAPTMMP3
SCHEMBL7538590 0.89 GRN (0.45) GRNSORT1ALDH1A1LMNAMAPT

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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