SCHEMBL7542622

SCHEMBL7542622

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CTSK P43235 8/20 0.39
▸ CTSS P25774 6/20 0.39
▸ FOLH1 Q04609 2/20 0.35
▸ CTSL P07711 5/20 0.35
▸ NPY1R P25929 1/20 0.35
▸ NPY2R P49146 1/20 0.35
▸ NPY4R P50391 1/20 0.35
▸ CTSB P07858 2/20 0.33
▸ GAA P10253 2/20 0.32
▸ MAPT P10636 2/20 0.32
▸ HPGD P15428 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ FPR2 P25090 2/20 0.32
▸ CRHBP P24387 1/20 0.32
▸ CRHR2 Q13324 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ ERAP2 Q6P179 1/20 0.32
▸ ERAP1 Q9NZ08 1/20 0.32
▸ LNPEP Q9UIQ6 1/20 0.32
▸ MMP1 P03956 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
SCHEMBL7547045 0.93 CTSK (0.39) CTSKCTSSCTSLCTSBGAA
SCHEMBL7542723 0.93 CTSK (0.38) CTSKCTSSFOLH1CTSLCTSB
SCHEMBL7565354 0.91 CTSK (0.36) CTSKCTSSFOLH1CTSLCTSB
SCHEMBL7565029 0.91 CTSK (0.36) CTSKCTSSFOLH1CTSLCTSB
SCHEMBL7567053 0.91 CTSK (0.36) CTSKCTSSFOLH1CTSLCTSB
SCHEMBL7538431 0.91 CTSK (0.36) CTSKCTSSFOLH1CTSLCTSB
SCHEMBL7541309 0.91 ANPEP (0.40) CTSKCTSSCTSLCTSBGAA
SCHEMBL7538346 0.91 CTSK (0.38) CTSKCTSSFOLH1CTSLCTSB
SCHEMBL7571448 0.91 CTSK (0.35) CTSKCTSSFOLH1CTSLCTSB

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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