SCHEMBL28699378

SCHEMBL28699378

CCOC(=O)[C@H](Cc1ccc(O)cc1)NCc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.54
EPHX2 P34913 1/20 0.52
PPARG P37231 1/20 0.52
MMP8 P22894 1/20 0.51
ATM Q13315 2/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.49
TSHR P16473 1/20 0.48
MDM4 O15151 1/20 0.48
MDM2 Q00987 1/20 0.48
TACR1 P25103 1/20 0.48
ELANE P08246 1/20 0.47
HPRT1 P00492 1/20 0.47
ITGA4 P13612 2/20 0.47
ITGB7 P26010 2/20 0.47
TP53 P04637 1/20 0.46
TRPM8 Q7Z2W7 1/20 0.46
POLB P06746 1/20 0.46
PSMB5 P28074 1/20 0.46

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
SCHEMBL13915549 0.94 MMP8 (0.56) EPHX2PPARGMMP8ATML3MBTL1
SCHEMBL1931193 0.94 MMP8 (0.56) EPHX2PPARGMMP8ATML3MBTL1
SCHEMBL2860040 0.89 EPHX2 (0.52) EPHX2PPARGMMP8ATML3MBTL1
SCHEMBL2860038 0.89 EPHX2 (0.52) EPHX2PPARGMMP8ATML3MBTL1
SCHEMBL5887649 0.89 MMP8 (0.52) EPHX2PPARGMMP8ATML3MBTL1
SCHEMBL5887617 0.89 PPARG (0.50) BACE1EPHX2PPARGMMP8ATM
SCHEMBL5887647 0.89 MMP8 (0.52) EPHX2PPARGMMP8ATML3MBTL1
SCHEMBL5887621 0.89 PPARG (0.50) BACE1EPHX2PPARGMMP8ATM
SCHEMBL7260951 0.89 ATM (0.62) ATML3MBTL1TSHRMDM4MDM2
SCHEMBL6277159 0.88 EPHX2 (0.53) BACE1EPHX2PPARGTSHRTP53

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-109596837-B Bionic digestion determination method for protein digestibility of pig feed 中国农业科学院北京畜牧兽医研究所 2022-02-08 CN disclosed