SCHEMBL31423769

SCHEMBL31423769

Nc1ccc(C(=O)O)cc1NC(=O)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.53
KMT2A Q03164 2/20 0.50
FABP7 O15540 2/20 0.44
FABP5 Q01469 2/20 0.44
LNPEP Q9UIQ6 2/20 0.42
HDAC1 Q13547 7/20 0.42
HDAC2 Q92769 7/20 0.42
HDAC3 O15379 6/20 0.42
ERAP2 Q6P179 1/20 0.41
CASP3 P42574 2/20 0.41

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
SCHEMBL29547309 1.00 EPHX2 (0.53) EPHX2KMT2AFABP7FABP5LNPEP
SCHEMBL14701886 1.00 EPHX2 (0.53) EPHX2KMT2AFABP7FABP5LNPEP
SCHEMBL17413389 0.91 EPHX2 (0.53) EPHX2KMT2AFABP7FABP5HDAC1
SCHEMBL25397265 0.89 EPHX2 (0.56) EPHX2KMT2AFABP7FABP5CASP3
SCHEMBL30522780 0.89 EPHX2 (0.56) EPHX2KMT2AFABP7FABP5CASP3
SCHEMBL31423768 0.88 EPHX2 (0.48) EPHX2KMT2AFABP7FABP5CASP3
SCHEMBL3209502 0.87 EPHX2 (0.57) EPHX2KMT2AFABP7FABP5CASP3
SCHEMBL570236 0.86 EPHX2 (0.53) EPHX2KMT2ACASP3
SCHEMBL29546978 0.85 EPHX2 (0.52) EPHX2KMT2AFABP7FABP5CASP3
SCHEMBL29547060 0.85 EPHX2 (0.52) EPHX2KMT2AFABP7FABP5CASP3

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-118530294-B Aryl diamine immobilized linker, precursor thereof, preparation method and application 浙江大学 2025-02-14 CN disclosed