SCHEMBL14567482

SCHEMBL14567482

CCC(C)(C)CC[C@H](NC(=O)OCc1ccccc1)C(=O)NC1(C#N)CCN(C)CC1

nearest known ligand 0.61

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CTSS P25774 12/20 0.60
CTSL P07711 10/20 0.48
CTSB P07858 7/20 0.46
CTSK P43235 8/20 0.44
TACR1 P25103 1/20 0.43

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
SCHEMBL5357035 0.84 CTSL (0.63) CTSSCTSLCTSBCTSK
SCHEMBL14589037 0.83 CTSS (0.65) CTSSCTSLCTSBCTSK
SCHEMBL4836327 0.83 CTSS (0.69) CTSSCTSLCTSBCTSK
SCHEMBL4837883 0.77 KYNU (0.55) CTSSCTSLCTSBCTSK
SCHEMBL4837891 0.77 KYNU (0.55) CTSSCTSLCTSBCTSK
SCHEMBL14567484 0.76 SIRT2 (0.53) CTSSCTSLCTSBCTSK
SCHEMBL4407907 0.76 SIRT2 (0.53) CTSSCTSLCTSBCTSK
SCHEMBL5372347 0.76 CTSL (0.61) CTSSCTSLCTSBCTSK
SCHEMBL8251755 0.75 CTSS (1.00) CTSSCTSLCTSBCTSK
SCHEMBL8256794 0.75 CTSS (1.00) CTSSCTSLCTSBCTSK

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
US-7186827-B2 Dipeptide synthesis BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2007-03-06 US disclosed