SCHEMBL9854733

SCHEMBL9854733

CC(C)(C)OC(=O)NC(Cc1cccc([N+](=O)[O-])c1)C(N)=O

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
REN P00797 3/20 0.52
CTSS P25774 6/20 0.49
CTSK P43235 5/20 0.49
CTSB P07858 4/20 0.49
ITGA4 P13612 1/20 0.49
ITGB7 P26010 1/20 0.49
CTSL P07711 2/20 0.48
MAPT P10636 2/20 0.48
ALOX5 P09917 1/20 0.48
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
ACE P12821 1/20 0.47
PPARG P37231 1/20 0.47
PPARA Q07869 1/20 0.47
NR3C2 P08235 1/20 0.44
KLK5 Q9Y337 1/20 0.44

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
SCHEMBL2728490 0.90 KLK5 (0.55) CTSSCTSKCTSBITGA4ITGB7
SCHEMBL29469017 0.90 ACE (0.59) CTSSCTSKCTSBITGA4ITGB7
SCHEMBL9956671 0.90 ACE (0.59) CTSSCTSKCTSBITGA4ITGB7
SCHEMBL2727573 0.90 ACE (0.59) CTSSCTSKCTSBITGA4ITGB7
SCHEMBL6674426 0.90 KLK5 (0.55) CTSSCTSKCTSBITGA4ITGB7
SCHEMBL9956668 0.90 ACE (0.59) CTSSCTSKCTSBITGA4ITGB7
SCHEMBL2727571 0.90 ACE (0.59) CTSSCTSKCTSBITGA4ITGB7
SCHEMBL15715615 0.88 CTSS (0.53) RENCTSSCTSKCTSBITGA4
SCHEMBL10209857 0.87 ITGA4 (0.48) CTSSCTSKCTSBITGA4ITGB7
SCHEMBL4733108 0.87 ITGA4 (0.50) CTSSCTSKCTSBITGA4ITGB7

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-0405506-A1 Tetrapeptide type-B CCK receptor ligands ABBOTT LABORATORIES (US) 1991-01-02 EP disclosed