SCHEMBL29670872

SCHEMBL29670872

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

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.42
KMT2A Q03164 2/20 0.42
FABP5 Q01469 3/20 0.41
FABP7 O15540 2/20 0.41
POLB P06746 1/20 0.41
PPARG P37231 1/20 0.40
PPARA Q07869 1/20 0.40
SLC17A5 Q9NRA2 1/20 0.37
MDM4 O15151 1/20 0.37
TP53 P04637 1/20 0.37
SLC7A5 Q01650 1/20 0.37
CASP3 P42574 1/20 0.36

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 0.94 PPARG (0.40) EPHX2KMT2AFABP5FABP7POLB
SCHEMBL22804101 0.94 PPARG (0.40) EPHX2KMT2AFABP5FABP7POLB
SCHEMBL6796224 0.92 EPHX2 (0.39) EPHX2KMT2AFABP5FABP7POLB
SCHEMBL20446045 0.91 EPHX2 (0.40) EPHX2KMT2AFABP5FABP7POLB
SCHEMBL20446044 0.91 EPHX2 (0.40) EPHX2KMT2AFABP5FABP7POLB
SCHEMBL29641578 0.89 EPHX2 (0.41) EPHX2KMT2AFABP5FABP7POLB
SCHEMBL26123520 0.89 EPHX2 (0.41) EPHX2KMT2AFABP5FABP7POLB
SCHEMBL29779331 0.89 ITGB3 (0.44) EPHX2KMT2AFABP5FABP7POLB
SCHEMBL29641550 0.89 EPHX2 (0.41) EPHX2KMT2AFABP5FABP7POLB
SCHEMBL5577090 0.89 ITGB3 (0.44) EPHX2KMT2AFABP5FABP7POLB

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-112094204-B Method for preparing Fmoc-Tyr (tBu) -OH 成都郑源生化科技有限公司 2022-06-21 CN disclosed