SCHEMBL9183261

SCHEMBL9183261

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

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 1/20 0.35
KEAP1 Q14145 1/20 0.34
HDAC6 Q9UBN7 2/20 0.33
FFAR1 O14842 2/20 0.33
PRKAG1 P54619 1/20 0.33
PRKAA2 P54646 1/20 0.33
PRKAA1 Q13131 1/20 0.33
PRKAB1 Q9Y478 1/20 0.33
HSD17B10 Q99714 1/20 0.33
PARP1 P09874 1/20 0.33
PARP2 Q9UGN5 1/20 0.33
GPR17 Q13304 1/20 0.33
HPGD P15428 1/20 0.33
CYP2C19 P33261 1/20 0.33
TBXAS1 P24557 1/20 0.33
NPSR1 Q6W5P4 1/20 0.32
APEX1 P27695 1/20 0.32
KDM4E B2RXH2 1/20 0.32

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
SCHEMBL2153786 0.76 TBXAS1 (0.39) CHRM1KEAP1HDAC6FFAR1PRKAG1
SCHEMBL25404663 0.76 CHRM1 (0.45) CHRM1KEAP1HDAC6FFAR1PRKAG1
SCHEMBL3930088 0.74 NPSR1 (0.42) CHRM1KEAP1HSD17B10PARP1PARP2
SCHEMBL7532836 0.74 CHRM1 (0.37) CHRM1KEAP1HDAC6FFAR1PRKAG1
SCHEMBL926964 0.74 HSD17B10 (0.45) CHRM1KEAP1HDAC6FFAR1PRKAG1
Hydrochloric Acid SCHEMBL25439022 0.73 NPSR1 (0.41) CHRM1KEAP1HSD17B10PARP1PARP2
SCHEMBL3005181 0.71 CHRM1 (0.38) CHRM1KEAP1PRKAG1PRKAA2PRKAA1
SCHEMBL20366143 0.71 CHRM1 (0.38) CHRM1KEAP1HDAC6FFAR1PRKAG1
SCHEMBL27803089 0.70 NR1H4 (0.40) CHRM1KEAP1FFAR1PRKAG1PRKAA2
SCHEMBL2998729 0.70 CHRM1 (0.37) CHRM1PRKAG1PRKAA2PRKAA1PRKAB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5378379-A Phosphate surfactant, fluozirconic acid, fluoride compound HENKEL CORPORATION (US) 1995-01-03 US disclosed