SCHEMBL28372102

SCHEMBL28372102

O=C(NC(CO)CCO)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.52
CASP3 P42574 3/20 0.49
EPHX2 P34913 1/20 0.49
MDM4 O15151 1/20 0.47
TP53 P04637 1/20 0.47
FABP7 O15540 1/20 0.45
FABP5 Q01469 1/20 0.45

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
SCHEMBL6520211 0.92 KMT2A (0.57) KMT2ACASP3EPHX2MDM4TP53
SCHEMBL29400883 0.92 KMT2A (0.57) KMT2ACASP3EPHX2MDM4TP53
SCHEMBL13688705 0.90 CASP3 (0.50) KMT2ACASP3EPHX2MDM4TP53
SCHEMBL1784930 0.90 CASP3 (0.50) KMT2ACASP3EPHX2MDM4TP53
SCHEMBL1784926 0.90 CASP3 (0.50) KMT2ACASP3EPHX2MDM4TP53
SCHEMBL25199025 0.89 KMT2A (0.57) KMT2ACASP3EPHX2MDM4TP53
SCHEMBL13652764 0.88 TLR2 (0.49) KMT2ACASP3EPHX2
SCHEMBL31520515 0.88 CASP3 (0.48) KMT2ACASP3EPHX2MDM4TP53
SCHEMBL29398126 0.88 KMT2A (0.51) KMT2ACASP3EPHX2MDM4TP53
SCHEMBL15381248 0.88 KMT2A (0.48) KMT2ACASP3EPHX2MDM4TP53

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-107759779-B Antibacterial polyester material and preparation method thereof 东华大学 2020-04-07 CN claimed