SCHEMBL29019441

SCHEMBL29019441

CCC(=O)Oc1c(N)cccc1NC(=O)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.49
KMT2A Q03164 2/20 0.46
CHRM3 P20309 3/20 0.39
FABP5 Q01469 2/20 0.38
FABP7 O15540 1/20 0.38
CASP3 P42574 1/20 0.38
CHRM2 P08172 1/20 0.38
CHRM1 P11229 1/20 0.38

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
SCHEMBL22444659 0.88 EPHX2 (0.50) EPHX2KMT2ACHRM3CASP3
SCHEMBL22444619 0.87 EPHX2 (0.49) EPHX2KMT2ACHRM3CHRM2CHRM1
SCHEMBL22444785 0.87 EPHX2 (0.49) EPHX2KMT2ACHRM3FABP5FABP7
SCHEMBL22444614 0.86 EPHX2 (0.48) EPHX2KMT2ACHRM3FABP5CASP3
SCHEMBL29019465 0.85 EPHX2 (0.47) EPHX2KMT2ACHRM3CASP3
SCHEMBL29019450 0.84 EPHX2 (0.46) EPHX2KMT2ACASP3
SCHEMBL1557280 0.84 EPHX2 (0.46) EPHX2KMT2ACHRM3FABP5CASP3
SCHEMBL29221377 0.83 EPHX2 (0.45) EPHX2KMT2ACHRM3FABP5CASP3
SCHEMBL3234085 0.83 KMT2A (0.58) EPHX2KMT2ACHRM3FABP5FABP7
SCHEMBL28405772 0.81 EPHX2 (0.43) EPHX2KMT2ACHRM3FABP5FABP7

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-110475785-B Peptide compound, method for producing same, composition for screening, and method for selecting peptide compound 富士胶片株式会社 2023-06-13 CN disclosed