SCHEMBL17664939

SCHEMBL17664939

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

nearest known ligand 0.57

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.57
▸ EPHX2 P34913 1/20 0.53
▸ CASP3 P42574 3/20 0.47
▸ FABP5 Q01469 3/20 0.46
▸ FABP7 O15540 2/20 0.46
▸ MDM4 O15151 1/20 0.42
▸ TP53 P04637 1/20 0.42

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
SCHEMBL28675945 0.88 KMT2A (0.59) KMT2AEPHX2CASP3FABP5FABP7
SCHEMBL21332462 0.88 KMT2A (0.66) KMT2AEPHX2CASP3FABP5FABP7
SCHEMBL27892188 0.87 KMT2A (0.58) KMT2AEPHX2CASP3FABP5FABP7
SCHEMBL28783421 0.84 KMT2A (0.56) KMT2AEPHX2CASP3FABP5FABP7
SCHEMBL120274 0.83 KMT2A (0.61) KMT2AEPHX2CASP3FABP5FABP7
SCHEMBL20825632 0.83 KMT2A (0.54) KMT2AEPHX2CASP3FABP5FABP7
SCHEMBL27741275 0.83 KMT2A (0.58) KMT2AEPHX2CASP3FABP5FABP7
SCHEMBL2411832 0.82 KMT2A (0.63) KMT2AEPHX2CASP3FABP5FABP7
SCHEMBL14123125 0.82 KMT2A (0.53) KMT2AEPHX2CASP3FABP5FABP7
SCHEMBL411680 0.81 KMT2A (0.62) KMT2AEPHX2CASP3FABP5FABP7

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
WO-2016050209-A1 HETEROFUNCTIONALIZED POLYETHYLENE GLYCOL DERIVATIVE, PREPARATION METHOD, AND BIO-RELATED SUBSTANCE 厦门赛诺邦格生物科技有限公司 2016-04-07 — — WO disclosed
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