SCHEMBL8550809

SCHEMBL8550809

COc1cc(C(=O)CC(N)Cc2ccc(NC(=O)OCc3ccccc3)cc2)cc(OC)c1OC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 1/20 0.46
KMT2A Q03164 3/20 0.45
MEN1 O00255 2/20 0.45
TP53 P04637 1/20 0.43
MAPT P10636 1/20 0.43
POLB P06746 1/20 0.43
KDM1A O60341 3/20 0.43
MAOA P21397 2/20 0.43
MAOB P27338 2/20 0.43
RCOR1 Q9UKL0 2/20 0.42
F2 P00734 1/20 0.42
PRSS1 P07477 1/20 0.42
PRSS2 P07478 1/20 0.42
PRSS3 P35030 1/20 0.42
KDM4E B2RXH2 1/20 0.42
MGLL Q99685 1/20 0.42
PDE4B Q07343 1/20 0.41
PDE4D Q08499 1/20 0.41
PDE7A Q13946 1/20 0.41
PDE3A Q14432 1/20 0.41

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
SCHEMBL8546912 0.86 MEN1 (0.57) KMT2AMEN1TP53MAPTPOLB
SCHEMBL8547594 0.84 MAPT (0.55) METAP2KMT2AMEN1TP53MAPT
SCHEMBL8813471 0.80 KMT2A (0.46) KMT2AMEN1MAPTPOLBKDM4E
SCHEMBL15947583 0.79 POLB (0.50) KMT2AMEN1TP53MAPTPOLB
SCHEMBL8548387 0.79 CTSC (0.43) KDM1AMAOAMAOBKDM4E
SCHEMBL8545646 0.78 CYP19A1 (0.50) KMT2AMEN1KDM4E
SCHEMBL7966946 0.78 POLB (0.58) TP53MAPTPOLBKDM1AMAOA
SCHEMBL7966954 0.78 POLB (0.58) TP53MAPTPOLBKDM1AMAOA
Hydrochloric Acid SCHEMBL8544659 0.77 CYP19A1 (0.49) KMT2AMEN1KDM4E
SCHEMBL8550168 0.74 KMT2A (0.54) METAP2KMT2APOLBKDM4E

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0564924-B1 2-Oxoethyl derivatives as immunosuppressants BAYER AG (US) 1998-09-09 EP claimed
EP-0564924-A2 2-Oxoethyl derivatives as immunosuppressants Bayer Corporation (US) 1993-10-13 EP claimed
EP-0564924-B1 2-Oxoethyl derivatives as immunosuppressants BAYER AG (US) 1998-09-09 EP disclosed
EP-0564924-A2 2-Oxoethyl derivatives as immunosuppressants Bayer Corporation (US) 1993-10-13 EP disclosed