SCHEMBL22804101

SCHEMBL22804101

CC(=O)N(C(=O)OCC1c2ccccc2-c2ccccc21)[C@H](Cc1ccc(O)cc1)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.40
PPARA Q07869 1/20 0.40
EPHX2 P34913 1/20 0.40
KMT2A Q03164 2/20 0.40
FABP5 Q01469 3/20 0.39
FABP7 O15540 2/20 0.39
POLB P06746 1/20 0.39
SLC7A5 Q01650 1/20 0.37
CASP3 P42574 2/20 0.37
SLC17A5 Q9NRA2 1/20 0.35

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
SCHEMBL22804060 1.00 PPARG (0.40) PPARGPPARAEPHX2KMT2AFABP5
SCHEMBL29670872 0.94 EPHX2 (0.42) PPARGPPARAEPHX2KMT2AFABP5
SCHEMBL6796224 0.89 EPHX2 (0.39) PPARGPPARAEPHX2KMT2AFABP5
SCHEMBL29779331 0.88 ITGB3 (0.44) PPARGPPARAEPHX2KMT2AFABP5
SCHEMBL5577090 0.88 ITGB3 (0.44) PPARGPPARAEPHX2KMT2AFABP5
SCHEMBL20446045 0.88 EPHX2 (0.40) PPARGPPARAEPHX2KMT2AFABP5
SCHEMBL20446044 0.88 EPHX2 (0.40) PPARGPPARAEPHX2KMT2AFABP5
SCHEMBL28836523 0.86 CASP3 (0.46) EPHX2KMT2AFABP5FABP7CASP3
SCHEMBL29641578 0.86 EPHX2 (0.41) PPARGPPARAEPHX2KMT2AFABP5
SCHEMBL29641550 0.86 EPHX2 (0.41) PPARGPPARAEPHX2KMT2AFABP5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020252713-A1 MODIFIED HYDROPHOBIC AUXILIARY MATERIAL, PREPARATION METHOD THEREFOR AND USE THEREOF 浙江智达药业有限公司 2020-12-24 WO claimed
CN-112110834-A Modified hydrophobic auxiliary material and preparation method and application thereof 浙江智达药业有限公司 2020-12-22 CN claimed
WO-2020252713-A1 MODIFIED HYDROPHOBIC AUXILIARY MATERIAL, PREPARATION METHOD THEREFOR AND USE THEREOF 浙江智达药业有限公司 2020-12-24 WO disclosed
CN-112110834-A Modified hydrophobic auxiliary material and preparation method and application thereof 浙江智达药业有限公司 2020-12-22 CN disclosed