SCHEMBL9508444

SCHEMBL9508444

C=CC(CC(=O)C(NC(=O)OC(C)(C)C)C(C)C)Cc1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KLK5 Q9Y337 2/20 0.53
APP P05067 1/20 0.48
ATM Q13315 2/20 0.48
ACE P12821 1/20 0.47
CTSS P25774 2/20 0.47
CTSL P07711 1/20 0.47
CTSB P07858 1/20 0.47
CTSK P43235 1/20 0.47
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46

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
SCHEMBL9508990 0.89 ATM (0.50) KLK5APPATMACECTSS
SCHEMBL9504997 0.83 KLK5 (0.55) KLK5APPATMACECTSS
SCHEMBL7289822 0.81 ATM (0.52) KLK5APPATMCTSSCTSL
SCHEMBL10192143 0.77 CTSK (0.51) KLK5APPATMACECTSS
SCHEMBL13309005 0.77 CTSK (0.51) KLK5APPATMACECTSS
SCHEMBL5732519 0.77 ATM (0.57) KLK5APPATMACECTSS
SCHEMBL1207885 0.77 ATM (0.57) KLK5APPATMACECTSS
SCHEMBL13937947 0.77 ATM (0.57) KLK5APPATMACECTSS
SCHEMBL9508318 0.76 CTSK (0.48) CTSSCTSLCTSBCTSK
SCHEMBL9078755 0.75 CTSB (0.57) KLK5APPATMCTSSCTSL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0556405-A1 PSEUDOPENTAPEPTIDES WITH IMMUNOMODULATING ACTIVITY Japan Tobacco Inc. (JP) 1993-08-25 EP disclosed
WO-1993004080-A1 PSEUDOPENTAPEPTIDES WITH IMMUNOMODULATING ACTIVITY JAPAN TOBACCO INC. (JP) 1993-03-04 WO disclosed