SCHEMBL9633343

SCHEMBL9633343

CC(C)[C@@H](NC(=O)[C@H](CS)NC(=O)COc1ccccc1)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.53
MME P08473 1/20 0.52
MBTPS1 Q14703 1/20 0.52
HSD17B10 Q99714 1/20 0.47
ALDH1A1 P00352 2/20 0.46
NPSR1 Q6W5P4 2/20 0.45
APOBEC3A P31941 1/20 0.45
KMT2A Q03164 1/20 0.45
APOBEC3G Q9HC16 1/20 0.45
HTRA1 Q92743 6/20 0.45
KDM4E B2RXH2 1/20 0.45
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
CASP3 P42574 1/20 0.44

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
SCHEMBL5711200 0.86 MBTPS1 (0.67) SMN1; SMN2MBTPS1HSD17B10ALDH1A1NPSR1
SCHEMBL11324889 0.86 MBTPS1 (0.67) SMN1; SMN2MBTPS1HSD17B10ALDH1A1NPSR1
SCHEMBL15387515 0.84 MME (0.55) MMEALDH1A1KMT2AKDM4E
SCHEMBL15387514 0.84 MME (0.55) MMEALDH1A1KMT2AKDM4E
SCHEMBL9633609 0.84 MME (0.55) MMEALDH1A1KMT2AKDM4E
SCHEMBL3486805 0.79 MME (0.53) SMN1; SMN2MMEMBTPS1ALDH1A1
SCHEMBL4075374 0.79 MME (0.53) SMN1; SMN2MMEMBTPS1ALDH1A1
SCHEMBL3486795 0.79 MME (0.53) SMN1; SMN2MMEMBTPS1ALDH1A1
SCHEMBL27989036 0.79 MME (0.42) SMN1; SMN2MME
SCHEMBL3486227 0.77 MME (0.51) SMN1; SMN2MMEMBTPS1ALDH1A1

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