SCHEMBL6356044

SCHEMBL6356044

CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(O)c1nccs1

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KLK5 Q9Y337 3/20 0.51
ATM Q13315 1/20 0.47
CTSS P25774 2/20 0.46
CTSL P07711 1/20 0.46
CTSB P07858 1/20 0.46
CTSK P43235 1/20 0.46
ACE P12821 1/20 0.44
PSEN1 P49768 3/20 0.44
PSEN2 P49810 3/20 0.44
APH1B Q8WW43 3/20 0.44
NCSTN Q92542 3/20 0.44
APH1A Q96BI3 3/20 0.44
PSENEN Q9NZ42 3/20 0.44
PTPRB P23467 2/20 0.44
APP P05067 1/20 0.43
BACE1 P56817 2/20 0.43
ALDH1A1 P00352 1/20 0.42

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
SCHEMBL9725769 1.00 KLK5 (0.51) KLK5ATMCTSSCTSLCTSB
SCHEMBL7277293 1.00 KLK5 (0.51) KLK5ATMCTSSCTSLCTSB
SCHEMBL7364763 1.00 KLK5 (0.51) KLK5ATMCTSSCTSLCTSB
SCHEMBL6674920 0.89 CTSK (0.47) KLK5ATMCTSSCTSLCTSB
SCHEMBL6674919 0.89 CTSK (0.47) KLK5ATMCTSSCTSLCTSB
SCHEMBL6308523 0.87 KLK5 (0.52) KLK5ATMCTSSCTSLCTSB
SCHEMBL6313008 0.87 KLK5 (0.52) KLK5ATMCTSSCTSLCTSB
SCHEMBL17297218 0.85 PTPRB (0.55) ATMCTSSCTSLCTSBCTSK
SCHEMBL10411484 0.85 PTPRB (0.55) ATMCTSSCTSLCTSBCTSK
SCHEMBL6577311 0.84 CA1 (0.40) KLK5CTSSCTSLCTSK

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6960575-B2 For use as inhibitors of chymase SANTEN PHARMACEUTICAL CO., LTD. (JP) 2005-11-01 US disclosed
US-6713472-B1 2-OXO-1,2,3,4-TETRAHYDROPYRAZINE DERIVATIVES; CHYMASE INHIBITORS SANTEN PHARMACEUTICAL CO., LTD. (JP) 2004-03-30 US disclosed
US-6410576-B1 ANTIINFLAMMATORY AGENTS; CARDIOVASCULAR DISORDERS SANTEN PHARMACEUTICAL CO., LTD. (JP) 2002-06-25 US disclosed