SCHEMBL7542723

SCHEMBL7542723

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CTSK P43235 6/20 0.38
▸ CTSS P25774 4/20 0.38
▸ FOLH1 Q04609 1/20 0.36
▸ FFAR2 O15552 1/20 0.35
▸ GRN P28799 1/20 0.35
▸ SORT1 Q99523 1/20 0.35
▸ CTSL P07711 4/20 0.35
▸ CPB2 Q96IY4 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ UTS2R Q9UKP6 2/20 0.33
▸ SLC6A3 Q01959 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ TRPV1 Q8NER1 1/20 0.32
▸ CTSB P07858 1/20 0.32
▸ GAA P10253 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ C3AR1 Q16581 1/20 0.32

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
SCHEMBL7546039 0.94 CTSK (0.43) CTSKCTSSCTSLCTSBGAA
SCHEMBL7542622 0.93 CTSK (0.39) CTSKCTSSFOLH1CTSLCTSB
SCHEMBL7547045 0.93 CTSK (0.39) CTSKCTSSCTSLMAPK1ALDH1A1
SCHEMBL7570937 0.92 CTSK (0.35) CTSKCTSSFFAR2GRNSORT1
SCHEMBL7566389 0.92 CTSK (0.35) CTSKCTSSFOLH1FFAR2GRN
SCHEMBL7538332 0.92 CTSK (0.35) CTSKCTSSFFAR2GRNSORT1
SCHEMBL7568018 0.92 CTSK (0.35) CTSKCTSSFOLH1FFAR2GRN
SCHEMBL7541723 0.91 CTSK (0.38) CTSKCTSSFFAR2GRNSORT1
SCHEMBL7566382 0.91 ACE (0.36) CTSKCTSSFOLH1FFAR2GRN
SCHEMBL7541309 0.91 ANPEP (0.40) CTSKCTSSCTSLLMNACTSB

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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