SCHEMBL6239789

SCHEMBL6239789

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

nearest known ligand 0.60

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.58
▸ CASP3 P42574 4/20 0.54
▸ EPHX2 P34913 1/20 0.51
▸ MDM4 O15151 2/20 0.48
▸ TP53 P04637 2/20 0.48
▸ PIN1 Q13526 1/20 0.46

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
SCHEMBL8451314 0.89 KMT2A (0.57) KMT2ACASP3EPHX2MDM4TP53
SCHEMBL13218997 0.88 CASP3 (0.54) KMT2ACASP3EPHX2MDM4TP53
SCHEMBL2625076 0.87 KMT2A (0.58) KMT2ACASP3EPHX2MDM4TP53
SCHEMBL25002346 0.86 CASP3 (0.56) KMT2ACASP3EPHX2MDM4TP53
SCHEMBL3267363 0.86 KMT2A (0.54) KMT2ACASP3EPHX2MDM4TP53
SCHEMBL12681450 0.86 CASP3 (0.56) KMT2ACASP3EPHX2MDM4TP53
SCHEMBL7743458 0.85 KMT2A (0.57) KMT2ACASP3EPHX2
SCHEMBL1486191 0.85 CASP3 (0.54) KMT2ACASP3EPHX2MDM4TP53
SCHEMBL7390390 0.85 CASP3 (0.52) KMT2ACASP3EPHX2MDM4TP53
SCHEMBL2551441 0.85 CASP3 (0.54) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1543019-A2 MODIFIED PNA MOLECULES Santaris Pharma A/S (DK) 2005-06-22 — — EP disclosed
WO-2004024757-A2 MODIFIED PNA MOLECULES SANTARIS PHARMA A/S (DK) 2004-03-25 — — WO disclosed
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