SCHEMBL9830573

SCHEMBL9830573

CC(C)[C@H](NC(=O)CNC(=O)C1CCCC1)C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PSMB5 P28074 3/20 0.57
EPHX2 P34913 2/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
ALDH1A1 P00352 2/20 0.49
TP53 P04637 1/20 0.46
NPSR1 Q6W5P4 1/20 0.44
HSD17B10 Q99714 1/20 0.42
TSHR P16473 1/20 0.41
MAPK1 P28482 1/20 0.41
EPHX1 P07099 1/20 0.40
USP2 O75604 1/20 0.40

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
SCHEMBL9830569 1.00 PSMB5 (0.57) PSMB5EPHX2SMN1; SMN2ALDH1A1TP53
SCHEMBL9830617 0.90 PSMB5 (0.51) PSMB5EPHX2SMN1; SMN2ALDH1A1TP53
SCHEMBL9830628 0.90 PSMB5 (0.51) PSMB5EPHX2SMN1; SMN2ALDH1A1TP53
SCHEMBL7899963 0.82 SMN1; SMN2 (0.59) SMN1; SMN2ALDH1A1TP53TSHRMAPK1
SCHEMBL9831322 0.82 SMN1; SMN2 (0.59) SMN1; SMN2ALDH1A1TP53TSHRMAPK1
SCHEMBL9829571 0.80 SMN1; SMN2 (0.57) EPHX2SMN1; SMN2ALDH1A1TP53TSHR
SCHEMBL7890180 0.80 SMN1; SMN2 (0.57) EPHX2SMN1; SMN2ALDH1A1TP53TSHR
SCHEMBL24653359 0.79 PSMB5 (0.67) PSMB5SMN1; SMN2ALDH1A1HSD17B10MAPK1
SCHEMBL22843352 0.79 PSMB5 (0.67) PSMB5SMN1; SMN2ALDH1A1HSD17B10MAPK1
SCHEMBL20042118 0.79 PSMB5 (0.67) PSMB5SMN1; SMN2ALDH1A1HSD17B10MAPK1

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
EP-0226304-B1 COMPOSITION CONTAINING A PENEM OR CARBAPENEM ANTIBIOTIC SANKYO COMPANY LIMITED (JP) 1991-08-28 EP disclosed
US-4757066-A Reduces renal toxicity SANKYO COMPANY LIMITED (JP) 1988-07-12 US disclosed
EP-0226304-A1 Composition containing a penem or carbapenem antibiotic SANKYO COMPANY LIMITED (JP) 1987-06-24 EP disclosed