SCHEMBL7414295

SCHEMBL7414295

CCNC(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)O

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CAPN1 P07384 1/20 0.60
CAPN2 P17655 1/20 0.60
CTSK P43235 6/20 0.55
CTSS P25774 5/20 0.55
CTSL P07711 5/20 0.55
CTSB P07858 3/20 0.55
SIRT2 Q8IXJ6 1/20 0.53
SIRT1 Q96EB6 1/20 0.53
CASP1 P29466 2/20 0.51
ALDH1A1 P00352 1/20 0.51
ALOX15 P16050 1/20 0.51
PPARG P37231 1/20 0.51
PPARA Q07869 1/20 0.51
TACR1 P25103 2/20 0.50
KYNU Q16719 1/20 0.50

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
SCHEMBL7420942 0.93 CAPN1 (0.59) CAPN1CAPN2CTSKCTSSCTSL
SCHEMBL1091875 0.89 ITGB3 (0.54) CTSKCTSSCTSLCTSBCASP1
SCHEMBL1091870 0.89 ITGB3 (0.54) CTSKCTSSCTSLCTSBCASP1
SCHEMBL22137672 0.88 CAPN1 (0.56) CAPN1CAPN2CTSKCTSSCTSL
SCHEMBL23574534 0.88 CTSK (0.54) CAPN1CAPN2CTSKCTSSCTSL
SCHEMBL11167471 0.88 CTSK (0.54) CAPN1CAPN2CTSKCTSSCTSL
SCHEMBL732234 0.87 SIRT2 (0.68) CAPN1CAPN2CTSSCTSLSIRT2
SCHEMBL750042 0.87 SIRT2 (0.68) CAPN1CAPN2CTSSCTSLSIRT2
SCHEMBL345953 0.85 PPARA (0.55) CTSKCTSSCTSLCTSBSIRT2
SCHEMBL4405472 0.85 ALDH1A1 (0.57) CTSKCTSSCTSLCTSBCASP1

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
WO-1993013066-A1 CYCLIC AMIDES OF 3-AMINO-2-HYDROXY-CARBOXYLIC ACIDS AS HIV-PROTEASE INHIBITORS SYNTEX (U.S.A.) INC. (US) 1993-07-08 WO disclosed