SCHEMBL8922565

SCHEMBL8922565

CC(N)C(=O)C1CCN(C(=O)OCC2c3ccccc3-c3ccccc32)C1(C(=O)O)C(=O)C(C)N

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.37
KMT2A Q03164 2/20 0.36
CASP3 P42574 4/20 0.36
FABP5 Q01469 3/20 0.36
FABP7 O15540 2/20 0.36
PIN1 Q13526 1/20 0.34
OPRD1 P41143 1/20 0.33
MDM4 O15151 1/20 0.33
TP53 P04637 1/20 0.33

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
SCHEMBL8923888 0.84 SMN1; SMN2 (0.44) KMT2A
SCHEMBL17753728 0.73 KMT2A (0.54) EPHX2KMT2ACASP3FABP5FABP7
SCHEMBL7037298 0.73 KMT2A (0.54) EPHX2KMT2ACASP3FABP5FABP7
SCHEMBL31742570 0.71 EPHX2 (0.44) EPHX2KMT2ACASP3FABP5FABP7
SCHEMBL23156931 0.71 EPHX2 (0.44) EPHX2KMT2ACASP3FABP5FABP7
SCHEMBL28365887 0.70 EPHX2 (0.46) EPHX2KMT2ACASP3FABP5FABP7
SCHEMBL31278506 0.70 FABP5 (0.38) EPHX2KMT2ACASP3FABP5FABP7
SCHEMBL18154894 0.69 EPHX2 (0.43) EPHX2KMT2ACASP3FABP5FABP7
SCHEMBL2583781 0.69 EPHX2 (0.43) EPHX2KMT2ACASP3FABP5FABP7
SCHEMBL2583787 0.69 EPHX2 (0.43) EPHX2KMT2ACASP3FABP5FABP7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5616573-A Glucocorticoids SCHERING AKTIENGESELLSCHAFT (DE) 1997-04-01 US disclosed
EP-0693080-A1 NEW GLUCOCORTICOIDS SCHERING AKTIENGESELLSCHAFT (DE) 1996-01-24 EP disclosed
WO-1994022898-A1 NEW GLUCOCORTICOIDS SCHERING AKTIENGESELLSCHAFT (DE) 1994-10-13 WO disclosed