SCHEMBL20135981

SCHEMBL20135981

CC(=O)c1cc2cc(Cl)c(Cl)cc2o1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.56
KDM4E B2RXH2 2/20 0.56
ALDH1A1 P00352 2/20 0.56
GAA P10253 2/20 0.56
HSD17B10 Q99714 2/20 0.56
GLA P06280 1/20 0.56
HPGD P15428 1/20 0.56
CASP1 P29466 1/20 0.56
BRCA1 P38398 1/20 0.56
CASP7 P55210 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
MAPT P10636 2/20 0.46
CYP3A4 P08684 1/20 0.46
CA12 O43570 2/20 0.43
CA9 Q16790 2/20 0.43
MEN1 O00255 1/20 0.42
POLB P06746 1/20 0.42
ALOX12 P18054 1/20 0.42
KMT2A Q03164 1/20 0.42
KDM4C Q9H3R0 1/20 0.42

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
SCHEMBL16708105 0.87 KDM4E (0.51) LMNAKDM4EALDH1A1GAAHSD17B10
SCHEMBL24139263 0.86 ALDH1A1 (0.50) LMNAKDM4EALDH1A1GAAHSD17B10
SCHEMBL24138899 0.86 ALDH1A1 (0.50) LMNAKDM4EALDH1A1GAAHSD17B10
SCHEMBL15349723 0.84 LMNA (0.51) LMNAKDM4EALDH1A1GAAHSD17B10
SCHEMBL20136031 0.78 LMNA (0.62) LMNAKDM4EALDH1A1GAAHSD17B10
SCHEMBL1390620 0.78 LMNA (0.43) LMNAKDM4EALDH1A1GAAHSD17B10
SCHEMBL20135967 0.78 ALDH1A1 (0.58) LMNAKDM4EALDH1A1GAAHSD17B10
SCHEMBL6894785 0.78 KDM4E (0.67) LMNAKDM4EALDH1A1GAAHSD17B10
SCHEMBL16795656 0.78 CA9 (0.64) LMNAKDM4EALDH1A1GAAHSD17B10
SCHEMBL20136054 0.78 LMNA (0.53) LMNAKDM4EALDH1A1GAAHSD17B10

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
EP-2828269-B1 BORONIC ACID BEARING LIPHAGANE COMPOUNDS AS INHIBITORS OF PI3K-ALPHA AND/OR BETA COUNCIL SCIENT IND RES (IN) 2018-05-16 EP disclosed