SCHEMBL8665941

SCHEMBL8665941

CC(O)CNC(=O)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.59

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.56
EPHX2 P34913 1/20 0.51
CASP3 P42574 3/20 0.48
FABP7 O15540 1/20 0.44
FABP5 Q01469 1/20 0.44

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
SCHEMBL17760175 1.00 KMT2A (0.56) KMT2AEPHX2CASP3FABP7FABP5
SCHEMBL6323147 1.00 KMT2A (0.56) KMT2AEPHX2CASP3FABP7FABP5
SCHEMBL12461580 0.90 KMT2A (0.57) KMT2AEPHX2CASP3FABP7FABP5
SCHEMBL14596379 0.88 KMT2A (0.55) KMT2AEPHX2CASP3FABP7FABP5
SCHEMBL15317894 0.86 KMT2A (0.54) KMT2AEPHX2CASP3
SCHEMBL3740743 0.86 KMT2A (0.57) KMT2AEPHX2CASP3FABP7FABP5
SCHEMBL31670673 0.86 KMT2A (0.57) KMT2AEPHX2CASP3FABP7FABP5
SCHEMBL15727228 0.86 KMT2A (0.57) KMT2AEPHX2CASP3FABP7FABP5
SCHEMBL20825767 0.86 KMT2A (0.54) KMT2AEPHX2CASP3FABP7FABP5
SCHEMBL60494 0.86 KMT2A (0.57) KMT2AEPHX2CASP3FABP7FABP5

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-0880503-A1 BALANOL ANALOGUES Phytera Symbion ApS (DK) 1998-12-02 EP disclosed
WO-1997029091-A1 BALANOL ANALOGUES PHYTERA SYMBION APS (DK) 1997-08-14 WO disclosed