SCHEMBL7595565

SCHEMBL7595565

CCC(C)OC(=O)c1cc(Br)cc(C(=O)OC(C)CC)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.51
PRKCA P17252 2/20 0.47
PRKCD Q05655 2/20 0.47
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA7 P43166 1/20 0.43
CA9 Q16790 1/20 0.43
CA14 Q9ULX7 1/20 0.43
KMT2A Q03164 2/20 0.42
HSD17B10 Q99714 2/20 0.41
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 2/20 0.40
ALOX12 P18054 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
NOTUM Q6P988 1/20 0.40
LMNA P02545 1/20 0.39
GABRA1 P14867 3/20 0.38
GABRG2 P18507 3/20 0.38
GABRB3 P28472 3/20 0.38

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
SCHEMBL13296229 0.89 L3MBTL1 (0.49) L3MBTL1PRKCAPRKCDCA12CA1
SCHEMBL23066477 0.85 CA12 (0.61) L3MBTL1PRKCAPRKCDCA12CA1
SCHEMBL14346381 0.84 ESR1 (0.54) L3MBTL1PRKCAPRKCDCA12CA1
SCHEMBL13296174 0.84 ALDH1A1 (0.56) L3MBTL1CA12CA1CA2CA7
SCHEMBL7592181 0.82 CA12 (0.62) L3MBTL1CA12CA1CA2CA7
SCHEMBL5375275 0.81 MAPT (0.48) L3MBTL1PRKCAPRKCDCA12CA1
SCHEMBL39052 0.81 CA12 (0.67) L3MBTL1PRKCAPRKCDCA12CA1
SCHEMBL1965809 0.80 CA12 (0.53) L3MBTL1CA12CA1CA2CA7
SCHEMBL39233 0.80 SERPINE1 (0.57) L3MBTL1PRKCAPRKCDCA12CA1
SCHEMBL26596714 0.80 PRKCA (0.43) L3MBTL1PRKCAPRKCDCA12CA1

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-0855400-B1 Phenylphosphonic acid derivative and production process therefor NISSAN CHEMICAL IND LTD (JP) 2002-11-06 EP disclosed
US-5880309-A DIALKYL DIALKOXYCARBONYLPHENYL PHOSPHONATES USEFUL AS RESIN MODIFIERS PRODUCED AT HIGH YIELD AND LOW COST BY HEATING A TRIALKYL PHOSPHITE AND A DIALKOXYCARBONYLPHENYL HALIDE IN THE PRESENCE OF A PALLADIUM OR NICKEL CATALYST AND HYDROLYZING NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 1999-03-09 US disclosed
EP-0855400-A1 Phenylphosphonic acid derivative and production process therefor NISSAN CHEMICAL INDUSTRIES LTD. (JP) 1998-07-29 EP disclosed