SCHEMBL8709491

SCHEMBL8709491

CC(O)(CC(N)=O)CC(N)=O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HMGCR P04035 1/20 0.55
CHRM1 P11229 1/20 0.55
TBXA2R P21731 1/20 0.55
ADRA1A P35348 1/20 0.55
ALDH1A1 P00352 4/20 0.35
LMNA P02545 4/20 0.35
KDM4E B2RXH2 2/20 0.35
TSHR P16473 2/20 0.35
ALOX15 P16050 2/20 0.35
CYP2C19 P33261 2/20 0.35
BLM P54132 2/20 0.35
PMP22 Q01453 2/20 0.35
HSD17B10 Q99714 2/20 0.35
GMNN O75496 1/20 0.35
USP2 O75604 1/20 0.35
TP53 P04637 1/20 0.35
CYP1A2 P05177 1/20 0.35
GLA P06280 1/20 0.35
POLB P06746 1/20 0.35
CYP3A4 P08684 1/20 0.35

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
Sulfuric Acid SCHEMBL8705058 0.89 HMGCR (0.46) HMGCRCHRM1TBXA2RADRA1AKDM4E
SCHEMBL16333661 0.86
SCHEMBL11422035 0.83 HMGCR (0.41) HMGCRCHRM1TBXA2RADRA1ALMNA
Hydrochloric Acid SCHEMBL27768791 0.82 HMGCR (0.39) HMGCRCHRM1TBXA2RADRA1AKDM4E
SCHEMBL95244 0.81
SCHEMBL156638 0.81
SCHEMBL13895253 0.80 GAA (0.43) HMGCRCHRM1TBXA2RADRA1AALDH1A1
Hydrochloric Acid SCHEMBL11595783 0.79
SCHEMBL28122018 0.79
SCHEMBL16280996 0.78 KDM4E (0.42) HMGCRCHRM1TBXA2RADRA1AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0001450-A2 3-Hydroxy-3-methylglutaric acid monoamide, derivatives thereof, intermediates, methods of preparation and compositions HOECHST AKTIENGESELLSCHAFT (DE) 1979-04-18 EP claimed
US-5849709-A Saccharopeptides and derivatives thereof GLYCOMED INCORPORATED (US) 1998-12-15 US disclosed
US-4208204-A 3-Hydroxy-3-methylglutaric acid monoamide and derivatives thereof CALBIOCHEM-BEHRING CORP. (US) 1980-06-17 US disclosed
US-4208204-A 3-Hydroxy-3-methylglutaric acid monoamide and derivatives thereof CALBIOCHEM-BEHRING CORP. (US) 1980-06-17 US disclosed
EP-0001450-A3 3-HYDROXY-3-METHYLGLUTARIC ACID MONOAMIDE, DERIVATIVES THEREOF, INTERMEDIATES, METHODS OF PREPARATION AND COMPOSITIONS HOECHST AKTIENGESELLSCHAFT (DE) 1979-06-27 EP disclosed
EP-0001450-A2 3-Hydroxy-3-methylglutaric acid monoamide, derivatives thereof, intermediates, methods of preparation and compositions HOECHST AKTIENGESELLSCHAFT (DE) 1979-04-18 EP disclosed
EP-0001450-A2 3-Hydroxy-3-methylglutaric acid monoamide, derivatives thereof, intermediates, methods of preparation and compositions HOECHST AKTIENGESELLSCHAFT (DE) 1979-04-18 EP disclosed