SCHEMBL11235643

SCHEMBL11235643

Cc1ccc(-c2c(C(=O)O)ccc(C(=O)O)c2-c2ccc(C)cc2Cl)c(Cl)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.50
CSNK2A1 P68400 1/20 0.47
CLCN2 P51788 1/20 0.46
ACLY P53396 1/20 0.46
PPARG P37231 1/20 0.46
PPARA Q07869 1/20 0.46
PRKAB2 O43741 1/20 0.46
PRKAG1 P54619 1/20 0.46
PRKAA2 P54646 1/20 0.46
PRKAA1 Q13131 1/20 0.46
PRKAG3 Q9UGI9 1/20 0.46
PRKAG2 Q9UGJ0 1/20 0.46
PRKAB1 Q9Y478 1/20 0.46
EIF4E P06730 1/20 0.45
AKR1C2 P52895 3/20 0.45
AKR1C1 Q04828 3/20 0.45
TP53 P04637 2/20 0.44
TSHR P16473 2/20 0.44
ALDH1A1 P00352 1/20 0.44
CASP1 P29466 1/20 0.44

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
SCHEMBL11234983 0.89 POLB (0.48) POLBCSNK2A1CLCN2ACLYPPARG
SCHEMBL336771 0.83 SMN1; SMN2 (0.63) CSNK2A1CLCN2ACLYPPARGPPARA
SCHEMBL9558834 0.81 TSHR (0.68) ACLYPPARGPPARAAKR1C2AKR1C1
SCHEMBL9645033 0.80 CA1 (0.52) AKR1C2AKR1C1TP53TSHRALDH1A1
SCHEMBL1712448 0.79 GAA (0.54) POLBEIF4ETP53TSHRALDH1A1
SCHEMBL10838195 0.76 POLB (0.48) POLBCSNK2A1ACLYALDH1A1SMN1; SMN2
SCHEMBL28016199 0.76 ALDH1A1 (0.55) PPARGPPARAAKR1C2AKR1C1TP53
SCHEMBL27738744 0.76 SORT1 (0.42) CLCN2ACLYALDH1A1MYCNR4A1
SCHEMBL306765 0.75 ALDH1A1 (0.63) POLBCSNK2A1CLCN2PPARGPPARA
SCHEMBL25263132 0.74 KDM4E (0.57) POLBCSNK2A1PRKAB2PRKAG1PRKAA2

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-4329443-A Process for polyester-carbonate transesterifications GENERAL ELECTRIC COMPANY (US) 1982-05-11 US disclosed