SCHEMBL7570937

SCHEMBL7570937

CC(C)CC(C(=O)NC(CCOCC(NC(=O)CC(C)(C)C)C(=O)O)C(=O)O)c1ccc(NC(=NC#N)Nc2ccc(Cl)cc2)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CTSK P43235 5/20 0.35
▸ CTSS P25774 4/20 0.35
▸ FFAR2 O15552 1/20 0.33
▸ GRN P28799 1/20 0.33
▸ SORT1 Q99523 1/20 0.33
▸ CTSL P07711 4/20 0.33
▸ UTS2R Q9UKP6 3/20 0.32
▸ MAPK1 P28482 1/20 0.31
▸ KEAP1 Q14145 2/20 0.31
▸ CYP2C9 P11712 1/20 0.31
▸ REN P00797 1/20 0.31
▸ NFE2L2 Q16236 1/20 0.31
▸ KCNJ11 Q14654 1/20 0.30
▸ KDM4E B2RXH2 1/20 0.30
▸ MAPT P10636 1/20 0.30
▸ KMT2A Q03164 1/20 0.30
▸ NPSR1 Q6W5P4 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ LMNA P02545 1/20 0.30
▸ CTSB P07858 1/20 0.30

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
SCHEMBL7538332 1.00 CTSK (0.35) CTSKCTSSFFAR2GRNSORT1
SCHEMBL7567257 0.94 CTSK (0.40) CTSKCTSSCTSLRENMAPT
SCHEMBL7544773 0.94 CTSK (0.40) CTSKCTSSCTSLRENMAPT
SCHEMBL7567053 0.93 CTSK (0.36) CTSKCTSSCTSLRENMAPT
SCHEMBL7541260 0.93 CTSK (0.36) CTSKCTSSCTSLMAPK1KEAP1
SCHEMBL7538431 0.93 CTSK (0.36) CTSKCTSSCTSLRENMAPT
SCHEMBL7566320 0.93 CTSK (0.36) CTSKCTSSCTSLMAPK1KEAP1
SCHEMBL7540764 0.92 ANPEP (0.38) CTSKCTSSCTSLRENLMNA
SCHEMBL7567398 0.92 ANPEP (0.38) CTSKCTSSCTSLRENLMNA
SCHEMBL7542723 0.92 CTSK (0.38) CTSKCTSSFFAR2GRNSORT1

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
Send feedback