SCHEMBL9633609

SCHEMBL9633609

CC(C)[C@@H](NC(=O)[C@H](CS)NC(=O)Cc1ccccc1)C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MME P08473 3/20 0.55
CTSL P07711 1/20 0.48
CTSB P07858 1/20 0.48
CTSS P25774 1/20 0.48
ALDH1A1 P00352 3/20 0.48
POLB P06746 1/20 0.48
CNR2 P34972 2/20 0.47
MAPT P10636 1/20 0.46
HPGD P15428 1/20 0.46
MEN1 O00255 1/20 0.46
CYP1A2 P05177 1/20 0.46
KMT2A Q03164 1/20 0.46
PSMB8 P28062 1/20 0.45
PSMB5 P28074 1/20 0.45
KDM4E B2RXH2 1/20 0.45

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
SCHEMBL15387514 1.00 MME (0.55) MMECTSLCTSBCTSSALDH1A1
SCHEMBL15387515 1.00 MME (0.55) MMECTSLCTSBCTSSALDH1A1
SCHEMBL3486738 0.90 MME (0.47) MMEALDH1A1MAPTHPGD
SCHEMBL9657153 0.88 MEP1B (0.50) MME
SCHEMBL9654344 0.88 MEP1B (0.50) MME
SCHEMBL4412847 0.84 POLB (0.59) ALDH1A1POLBCNR2MAPTHPGD
SCHEMBL10432164 0.84 POLB (0.59) ALDH1A1POLBCNR2MAPTHPGD
SCHEMBL4412844 0.84 POLB (0.59) ALDH1A1POLBCNR2MAPTHPGD
SCHEMBL9633343 0.84 SMN1; SMN2 (0.53) MMEALDH1A1KMT2AKDM4E
SCHEMBL9832138 0.83 POLB (0.52) MMEALDH1A1POLBCNR2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0209363-B1 HETEROPEPTIDES, INTERMEDIATES IN THE BIOSYNTHESIS OF PENICILLINS Antibioticos, S.A. (ES) 1992-05-06 EP claimed
EP-0209363-A2 Heteropeptides, intermediates in the biosynthesis of penicillins Antibioticos, S.A. (ES) 1987-01-21 EP claimed
EP-0209363-B1 HETEROPEPTIDES, INTERMEDIATES IN THE BIOSYNTHESIS OF PENICILLINS Antibioticos, S.A. (ES) 1992-05-06 EP disclosed
EP-0209363-A2 Heteropeptides, intermediates in the biosynthesis of penicillins Antibioticos, S.A. (ES) 1987-01-21 EP disclosed