SCHEMBL28330792

SCHEMBL28330792

O=C(NCc1ccccc1-c1cccc(C(=O)O)c1)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.49
EPHX2 P34913 2/20 0.47
FOLH1 Q04609 1/20 0.45
MDM4 O15151 1/20 0.41
TP53 P04637 1/20 0.41
PTGER1 P34995 1/20 0.41
EPHX1 P07099 1/20 0.41
FABP7 O15540 2/20 0.40
FABP5 Q01469 2/20 0.40
FABP3 P05413 1/20 0.40
CHRM1 P11229 1/20 0.39
CHRM3 P20309 1/20 0.39
CASP3 P42574 1/20 0.39

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
SCHEMBL20530670 0.89 EPHX2 (0.46) KMT2AEPHX2EPHX1FABP7FABP5
SCHEMBL7920181 0.88 KMT2A (0.52) KMT2AEPHX2FOLH1MDM4TP53
SCHEMBL1855344 0.86 EPHX2 (0.53) KMT2AEPHX2EPHX1
SCHEMBL20530627 0.85 EPHX2 (0.47) KMT2AEPHX2MDM4TP53EPHX1
SCHEMBL29618948 0.84 KMT2A (0.53) KMT2AEPHX2FABP7FABP5
SCHEMBL119110 0.84 KMT2A (0.53) KMT2AEPHX2FABP7FABP5
SCHEMBL29679265 0.84 KMT2A (0.53) KMT2AEPHX2FABP7FABP5
SCHEMBL20530636 0.84 EPHX2 (0.47) KMT2AEPHX2MDM4TP53EPHX1
SCHEMBL30466803 0.84 EPHX2 (0.47) KMT2AEPHX2MDM4TP53EPHX1
SCHEMBL30421786 0.83 KMT2A (0.56) KMT2AEPHX2MDM4TP53FABP7

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-110494442-A The big ring of peptide and its purposes in treatment bacterium infection HOFFMANN LA ROCHE 2019-11-22 CN disclosed