SCHEMBL11166014

SCHEMBL11166014

CNC(=O)[C@@H](CCC(=O)O)NC(=O)OC(C)(C)C

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CTSK P43235 8/20 0.52
CTSS P25774 7/20 0.52
BMP1 P13497 3/20 0.51
CTSL P07711 1/20 0.46
CTSB P07858 1/20 0.46
SIRT5 Q9NXA8 1/20 0.43
PPARG P37231 1/20 0.43
PPARA Q07869 1/20 0.43
HDAC4 P56524 2/20 0.42
HDAC1 Q13547 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
HTT P42858 1/20 0.42
HDAC6 Q9UBN7 1/20 0.41
FOLH1 Q04609 1/20 0.41

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
SCHEMBL8747641 1.00 CTSK (0.52) CTSKCTSSBMP1CTSLCTSB
SCHEMBL16976277 0.88 CTSK (0.49) CTSKCTSSCTSLCTSBPPARG
SCHEMBL3012283 0.87 CTSS (0.50) CTSKCTSSBMP1CTSLCTSB
SCHEMBL30483892 0.86 BMP1 (0.48) CTSKCTSSBMP1CTSLCTSB
SCHEMBL8215506 0.86 CTSS (0.51) CTSKCTSSCTSLCTSBPPARG
SCHEMBL7895274 0.86 CTSK (0.48) CTSKCTSSCTSLCTSBPPARG
SCHEMBL1318658 0.85 FOLH1 (0.56) CTSKCTSSPPARGPPARAFOLH1
SCHEMBL1324835 0.85 FOLH1 (0.56) CTSKCTSSPPARGPPARAFOLH1
SCHEMBL2769978 0.85 FOLH1 (0.56) CTSKCTSSPPARGPPARAFOLH1
SCHEMBL24648713 0.85 CTSS (0.60) CTSKCTSSCTSLCTSBCYP1A2

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-4369178-A Glucosamine peptide derivatives, their production and use TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1983-01-18 US disclosed
EP-0014984-B1 GLUCOSAMINE-PEPTIDE DERIVATIVES, THEIR PRODUCTION AND USE Takeda Chemical Industries, Ltd. (JP) 1982-12-01 EP disclosed
EP-0014984-A1 Glucosamine-peptide derivatives, their production and use Takeda Chemical Industries, Ltd. (JP) 1980-09-03 EP disclosed