SCHEMBL9830617

SCHEMBL9830617

CC(NC(=O)CNC(=O)C1CCCC1)C(=O)NC(C(=O)O)C(C)C

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PSMB5 P28074 3/20 0.51
SMN1; SMN2 Q16637 3/20 0.43
ALDH1A1 P00352 2/20 0.43
EPHX2 P34913 2/20 0.42
TP53 P04637 1/20 0.41
TSHR P16473 1/20 0.40
MAPK1 P28482 1/20 0.40
CYP3A4 P08684 1/20 0.38
HSD17B10 Q99714 1/20 0.38
NPSR1 Q6W5P4 1/20 0.37
HPGD P15428 1/20 0.37
CYP2C19 P33261 1/20 0.36

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
SCHEMBL9830628 1.00 PSMB5 (0.51) PSMB5SMN1; SMN2ALDH1A1EPHX2TP53
SCHEMBL9830569 0.90 PSMB5 (0.57) PSMB5SMN1; SMN2ALDH1A1EPHX2TP53
SCHEMBL9830573 0.90 PSMB5 (0.57) PSMB5SMN1; SMN2ALDH1A1EPHX2TP53
SCHEMBL9831734 0.83 SMN1; SMN2 (0.50) SMN1; SMN2ALDH1A1EPHX2TP53TSHR
SCHEMBL9831740 0.83 SMN1; SMN2 (0.50) SMN1; SMN2ALDH1A1EPHX2TP53TSHR
SCHEMBL9831322 0.76 SMN1; SMN2 (0.59) SMN1; SMN2ALDH1A1TP53TSHRMAPK1
SCHEMBL7899963 0.76 SMN1; SMN2 (0.59) SMN1; SMN2ALDH1A1TP53TSHRMAPK1
SCHEMBL9829561 0.76 CYP3A4 (0.48) PSMB5SMN1; SMN2ALDH1A1TP53TSHR
SCHEMBL9829569 0.76 CYP3A4 (0.48) PSMB5SMN1; SMN2ALDH1A1TP53TSHR
SCHEMBL7898085 0.76 TSHR (0.56) SMN1; SMN2ALDH1A1EPHX2TP53TSHR

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