SCHEMBL28405772

SCHEMBL28405772

CCC(=O)Oc1c(NC(=O)OCC2c3ccccc3-c3ccccc32)cccc1OC(C)(C)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.43
KMT2A Q03164 2/20 0.39
MDM4 O15151 1/20 0.38
TP53 P04637 1/20 0.38
FABP5 Q01469 2/20 0.37
CASP3 P42574 1/20 0.36
CHRM3 P20309 6/20 0.35
FABP7 O15540 1/20 0.34
CHRM2 P08172 1/20 0.34
CHRM1 P11229 1/20 0.34

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
SCHEMBL1557280 0.91 EPHX2 (0.46) EPHX2KMT2AMDM4TP53FABP5
SCHEMBL29221377 0.88 EPHX2 (0.45) EPHX2KMT2AFABP5CASP3CHRM3
SCHEMBL22444614 0.86 EPHX2 (0.48) EPHX2KMT2AFABP5CASP3CHRM3
SCHEMBL22444659 0.81 EPHX2 (0.50) EPHX2KMT2ACASP3CHRM3
SCHEMBL22444785 0.81 EPHX2 (0.49) EPHX2KMT2AFABP5CASP3CHRM3
SCHEMBL22444619 0.81 EPHX2 (0.49) EPHX2KMT2ACHRM3CHRM2CHRM1
SCHEMBL29019441 0.81 EPHX2 (0.49) EPHX2KMT2AFABP5CASP3CHRM3
SCHEMBL29221393 0.79 EPHX2 (0.42) EPHX2KMT2AFABP5CASP3CHRM3
SCHEMBL29019465 0.78 EPHX2 (0.47) EPHX2KMT2ACASP3CHRM3
SCHEMBL29019450 0.77 EPHX2 (0.46) EPHX2KMT2ATP53CASP3

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-110799520-A Method for synthesizing peptides containing N-substituted amino acids 中外制药株式会社 2020-02-14 CN disclosed