SCHEMBL9706968

SCHEMBL9706968

COc1ccc([C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc([O])cc2)c(OC)c1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.45
▸ MEN1 O00255 3/20 0.45
▸ MDM2 Q00987 1/20 0.43
▸ CASP3 P42574 2/20 0.41
▸ FABP5 Q01469 1/20 0.41
▸ EPHX2 P34913 1/20 0.41
▸ MDM4 O15151 1/20 0.40
▸ TP53 P04637 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.39
▸ ALDH1A1 P00352 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
SCHEMBL4395836 1.00 KMT2A (0.45) KMT2AMEN1MDM2CASP3FABP5
SCHEMBL12555211 0.95 KMT2A (0.47) KMT2AMEN1MDM2CASP3FABP5
SCHEMBL17192730 0.92 KMT2A (0.45) KMT2AMEN1MDM2CASP3FABP5
SCHEMBL8410923 0.92 KMT2A (0.45) KMT2AMEN1MDM2CASP3FABP5
SCHEMBL12873284 0.91 LMNA (0.46) KMT2AMEN1MDM2CASP3FABP5
SCHEMBL1623874 0.91 KMT2A (0.44) KMT2AMEN1MDM2CASP3FABP5
SCHEMBL12588064 0.89 KMT2A (0.42) KMT2AMEN1MDM2CASP3FABP5
SCHEMBL3367289 0.89 KMT2A (0.45) KMT2AMEN1MDM2CASP3FABP5
SCHEMBL16316701 0.89 KMT2A (0.42) KMT2AMEN1MDM2CASP3FABP5
SCHEMBL14416300 0.89 KMT2A (0.42) KMT2AMEN1MDM2CASP3FABP5

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-1992010515-A1 DERIVATES OF THE HUMAN PARATHORMONE FRAGMENT (1-37) IN THE AMIDE OR ETHYLAMIDE FORM AS ACTIVE SUBSTANCE PHARMA BISSENDORF PEPTIDE GMBH (DE) 1992-06-25 — — WO disclosed
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