SCHEMBL2153786

SCHEMBL2153786

O=C(O)CCc1c[nH]c(O)n1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 2/20 0.39
CHRM1 P11229 1/20 0.38
KEAP1 Q14145 1/20 0.38
HDAC6 Q9UBN7 1/20 0.36
FFAR1 O14842 2/20 0.36
PRKAG1 P54619 1/20 0.36
PRKAA2 P54646 1/20 0.36
PRKAA1 Q13131 1/20 0.36
PRKAB1 Q9Y478 1/20 0.36
HSD17B10 Q99714 1/20 0.36
PARP1 P09874 1/20 0.36
PARP2 Q9UGN5 1/20 0.36
NPSR1 Q6W5P4 1/20 0.35
GPR17 Q13304 1/20 0.35
HPGD P15428 1/20 0.35
CYP2C19 P33261 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
SCHEMBL25404663 0.80 CHRM1 (0.45) TBXAS1CHRM1KEAP1HDAC6FFAR1
SCHEMBL3930088 0.78 NPSR1 (0.42) CHRM1KEAP1HSD17B10PARP1PARP2
SCHEMBL926964 0.78 HSD17B10 (0.45) TBXAS1CHRM1KEAP1HDAC6FFAR1
SCHEMBL7532836 0.78 CHRM1 (0.37) TBXAS1CHRM1KEAP1HDAC6FFAR1
Hydrochloric Acid SCHEMBL25439022 0.77 NPSR1 (0.41) TBXAS1CHRM1KEAP1HSD17B10PARP1
SCHEMBL9183261 0.76 CHRM1 (0.35) TBXAS1CHRM1KEAP1HDAC6FFAR1
SCHEMBL20366143 0.76 CHRM1 (0.38) TBXAS1CHRM1KEAP1HDAC6FFAR1
SCHEMBL3005181 0.76 CHRM1 (0.38) TBXAS1CHRM1KEAP1PRKAG1PRKAA2
SCHEMBL2998729 0.74 CHRM1 (0.37) TBXAS1CHRM1PRKAG1PRKAA2PRKAA1
SCHEMBL4880314 0.73 FFAR1 (0.47) CHRM1KEAP1FFAR1PRKAG1PRKAA2

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-2342194-A1 OXOAZETIDINE DERIVATIVES, PROCESS FOR THE PREPARATION THEREOF AND USE THEREOF IN HUMAN MEDICINE AND IN COSMETICS Galderma Research & Development (FR) 2011-07-13 EP disclosed
WO-2010052253-A1 OXOAZETIDINE DERIVATIVES, PROCESS FOR THE PREPARATION THEREOF AND USE THEREOF IN HUMAN MEDICINE AND IN COSMETICS GALDERMA RESEARCH & DEVELOPMENT (FR) 2010-05-14 WO disclosed
US-4363815-A Alpha hydroxyacids, alpha ketoacids and their use in treating skin conditions YU RUEY J 1982-12-14 US disclosed