SCHEMBL28633398

SCHEMBL28633398

O=C(O)c1c(-c2ccccc2)cc(Cl)c(Cl)c1C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKAB2 O43741 2/20 0.43
PRKAG1 P54619 2/20 0.43
PRKAA2 P54646 2/20 0.43
PRKAA1 Q13131 2/20 0.43
PRKAG3 Q9UGI9 2/20 0.43
PRKAG2 Q9UGJ0 2/20 0.43
PRKAB1 Q9Y478 2/20 0.43
AKR1C2 P52895 2/20 0.42
AKR1C1 Q04828 2/20 0.42
CYP2A6 P11509 1/20 0.42
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
ALDH1A1 P00352 3/20 0.41
KDM4E B2RXH2 2/20 0.41
CYP1A2 P05177 1/20 0.41
GLA P06280 1/20 0.41
HPGD P15428 1/20 0.41
CYP2C19 P33261 1/20 0.41
HSD17B10 Q99714 1/20 0.41
CLCN2 P51788 1/20 0.41

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
SCHEMBL27703247 0.77 DPP4 (0.50) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL27739224 0.76 AKR1C2 (0.53) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL29029147 0.76 CLCN2 (0.53) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL29388011 0.76 PTPN1 (0.49) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL23521242 0.75 FOLH1 (0.53) AKR1C2AKR1C1MEN1KMT2AALDH1A1
SCHEMBL28047485 0.75 ACLY (0.44) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL14990636 0.74 PDE4A (0.45) AKR1C2AKR1C1MEN1KMT2AALDH1A1
SCHEMBL31457344 0.74 PTPN1 (0.60) AKR1C2AKR1C1MEN1KMT2AALDH1A1
SCHEMBL1596056 0.74 KMT2A (0.42) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL17748416 0.74 ALDH1A1 (0.54) MEN1KMT2AALDH1A1KDM4EHPGD

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
CN-113527101-A Novel compound, polymer and method for producing same, photosensitive resin composition, method for forming pattern, cured film, and electronic component 信越化学工业株式会社 2021-10-22 CN disclosed