SCHEMBL29048397

SCHEMBL29048397

Cc1cc(CCC(=O)O)cc(C(C)(C)C)c1OC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1

nearest known ligand 0.56

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
VCAM1 P19320 11/20 0.56
GAA P10253 3/20 0.48
KMT2A Q03164 2/20 0.45
MEN1 O00255 1/20 0.41
MAOA P21397 1/20 0.40
MAOB P27338 1/20 0.40

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
SCHEMBL28816690 0.92 VCAM1 (0.64) VCAM1GAAKMT2AMEN1
SCHEMBL5685117 0.84 VCAM1 (0.46) VCAM1GAAKMT2AMEN1
SCHEMBL28324794 0.84 GAA (0.57) VCAM1GAAKMT2AMEN1MAOA
SCHEMBL28349069 0.84 GAA (0.49) VCAM1GAAKMT2AMEN1
SCHEMBL4803023 0.83 VCAM1 (0.56) VCAM1GAAKMT2AMEN1
SCHEMBL29387462 0.82 GAA (0.55) GAAKMT2AMEN1MAOAMAOB
Hydrogen Peroxide SCHEMBL28104512 0.82 GAA (0.55) GAAKMT2AMEN1MAOAMAOB
SCHEMBL39866 0.82 GAA (0.55) GAAKMT2AMEN1MAOAMAOB
SCHEMBL959483 0.82 VCAM1 (0.43) VCAM1GAAKMT2AMEN1MAOA
SCHEMBL39190 0.82 GAA (0.66) VCAM1GAAKMT2AMEN1MAOA

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-116396250-A Phthalate benzofuranone compound, and preparation method and application thereof 天津利安隆新材料股份有限公司 2023-07-07 CN disclosed