SCHEMBL8789930

SCHEMBL8789930

CC(C)(CC(=O)ON)CC(=O)ON

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.37
FFAR1 O14842 1/20 0.32
CPT2 P23786 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
HMGCR P04035 1/20 0.32
CHRM1 P11229 1/20 0.32
TBXA2R P21731 1/20 0.32
ADRA1A P35348 1/20 0.32
MGAM O43451 1/20 0.32
GAA P10253 1/20 0.32
SI P14410 1/20 0.32
MGAM2 Q2M2H8 1/20 0.32
CYP2D6 P10635 1/20 0.31
TSHR P16473 1/20 0.31
CYP2C19 P33261 1/20 0.31
HIF1A Q16665 1/20 0.31

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
SCHEMBL8719786 0.83
SCHEMBL28176652 0.81
Acetic Acid SCHEMBL28287134 0.77 LMNA (0.35) KDM4EHMGCRCHRM1TBXA2RADRA1A
SCHEMBL28768059 0.77 FFAR1 (0.48) FFAR1CPT2TDP1
SCHEMBL29016501 0.75 HMGCR (0.32) HMGCRCHRM1TBXA2RADRA1A
SCHEMBL15895036 0.75
SCHEMBL27505500 0.75 PIK3CD (0.32)
SCHEMBL667630 0.74 TSHR (0.50) KDM4EMGAMGAASIMGAM2
SCHEMBL5406889 0.72 KDM4E (0.32) KDM4EFFAR1CPT2TDP1HMGCR
SCHEMBL14208176 0.72 LMNA (0.38) HMGCRCHRM1TBXA2RADRA1A

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-0468470-B1 Benzimidazoles, medicaments containing them and process for their preparation THOMAE GMBH DR K (DE) 1997-04-16 EP claimed
US-5684029-A HYPOTENSIVE AGENTS KARL THOMAE GMBH (DE) 1997-11-04 US disclosed
US-5587393-A ANGIOTENSIN ANTAGONIST USEFUL IN TREATING HYPERTENSION DR. KARL THOMAE GMBH (DE) 1996-12-24 US disclosed
US-5385925-A Benzimidazoles, pharmaceutical compositions containing these compounds and processes for preparing them DR. KARL THOMAE GMBH (DE) 1995-01-31 US disclosed