SCHEMBL28117969

SCHEMBL28117969

CCOC(=O)c1ccc2cc(C(=O)OO)ccc2c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.59
CA1 P00915 3/20 0.59
CA2 P00918 3/20 0.59
CA7 P43166 3/20 0.59
CA9 Q16790 3/20 0.59
CA14 Q9ULX7 3/20 0.59
ESR1 P03372 1/20 0.55
ESR2 Q92731 1/20 0.55
LMNA P02545 1/20 0.53
CYP1A2 P05177 1/20 0.53
CYP3A4 P08684 1/20 0.53
MAOA P21397 1/20 0.53
HSD17B2 P37059 1/20 0.53
MAPT P10636 3/20 0.50
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
CASP3 P42574 1/20 0.50
TRPV1 Q8NER1 1/20 0.50
SENP7 Q9BQF6 1/20 0.50
HCRTR1 O43613 2/20 0.49

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
SCHEMBL707407 0.93 CA12 (0.67) CA12CA1CA2CA7CA9
SCHEMBL3830381 0.90 CA12 (0.56) CA12CA1CA2CA7CA9
SCHEMBL9979785 0.89 CA12 (0.62) CA12CA1CA2CA7CA9
SCHEMBL1960994 0.87 CA12 (0.65) CA12CA1CA2CA7CA9
SCHEMBL3983761 0.87 CA1 (0.70) CA12CA1CA2CA7CA9
SCHEMBL16259100 0.86 CA12 (0.59) CA12CA1CA2CA7CA9
SCHEMBL7642823 0.86 HRH3 (0.61) CA12CA1CA2CA7CA9
SCHEMBL15724963 0.86 CA12 (0.59) CA12CA1CA2CA7CA9
SCHEMBL30684671 0.86 CA12 (0.59) CA12CA1CA2CA7CA9
SCHEMBL571295 0.86 CA12 (0.59) CA12CA1CA2CA7CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105324410-B Copolyesterimides derived from N, N ' -bis (hydroxyalkyl) -benzophenone-3, 3 ', 4,4 ' -tetracarboxylic diimide and films prepared therefrom 杜邦帝人薄膜美国有限公司 2017-03-22 CN disclosed
CN-105324411-B Derived from the copolyester imide of N, N ' double (hydroxy alkyl) 3,3 ', 4,4 ' double phenylsulfone tetracarboxylic imidodicarbonic diamide and the film that is produced from 杜邦帝人薄膜美国有限公司 2016-12-21 CN disclosed