SCHEMBL9828837

SCHEMBL9828837

CC(C)OC(=O)NC(C(=O)O)C(C)c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.57
MME P08473 8/20 0.47
SLC1A3 P43003 1/20 0.42
GPR132 Q9UNW8 1/20 0.41
TSHR P16473 1/20 0.40
GAA P10253 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
KMT2A Q03164 1/20 0.40
PDCD1 Q15116 1/20 0.39
CD274 Q9NZQ7 1/20 0.39
LMNA P02545 1/20 0.39
HPGD P15428 1/20 0.39
HSD17B10 Q99714 1/20 0.38
APAF1 O14727 1/20 0.38

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
SCHEMBL9828845 1.00 HTT (0.57) HTTMMESLC1A3GPR132TSHR
SCHEMBL8602939 0.87 MME (0.49) HTTMMESLC1A3GPR132TSHR
SCHEMBL4116995 0.81 CTSK (0.51) MME
SCHEMBL3414715 0.81 CTSK (0.51) MME
SCHEMBL3379781 0.81 CTSK (0.51) MME
SCHEMBL14250689 0.81 CTSK (0.51) MME
SCHEMBL844407 0.81 CTSK (0.51) MME
SCHEMBL6121510 0.80 HTT (0.60) HTTTSHRGAASMN1; SMN2KMT2A
SCHEMBL6435779 0.80 HTT (0.60) HTTTSHRGAASMN1; SMN2KMT2A
SCHEMBL2329884 0.80 MME (0.51) MMEGAASMN1; SMN2KMT2ALMNA

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