SCHEMBL4784823

SCHEMBL4784823

O=C(NC1(C(=O)O)CCCN(C(=O)O)C1)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.43
KMT2A Q03164 2/20 0.43
DPP8 Q6V1X1 1/20 0.43
DPP9 Q86TI2 1/20 0.43
OPRD1 P41143 1/20 0.38
MDM4 O15151 1/20 0.38
TP53 P04637 1/20 0.38
CASP3 P42574 2/20 0.38
FABP7 O15540 1/20 0.38
FABP5 Q01469 1/20 0.38
ALDH1A1 P00352 1/20 0.38
CTSS P25774 4/20 0.37
CTSK P43235 4/20 0.37
CTSL P07711 3/20 0.37
CTSB P07858 2/20 0.37

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
SCHEMBL178775 0.88 KMT2A (0.51) EPHX2KMT2ADPP8DPP9MDM4
SCHEMBL30594472 0.88 KMT2A (0.51) EPHX2KMT2ADPP8DPP9MDM4
SCHEMBL29624557 0.88 KMT2A (0.51) EPHX2KMT2ADPP8DPP9MDM4
SCHEMBL555165 0.88 BACE1 (0.44) EPHX2KMT2ADPP8DPP9MDM4
SCHEMBL6111714 0.87 EPHX2 (0.46) EPHX2KMT2ADPP8DPP9OPRD1
SCHEMBL30594467 0.87 KMT2A (0.50) EPHX2KMT2ADPP8DPP9CASP3
SCHEMBL29624551 0.87 KMT2A (0.50) EPHX2KMT2ADPP8DPP9CASP3
SCHEMBL7401413 0.87 KMT2A (0.50) EPHX2KMT2ADPP8DPP9CASP3
SCHEMBL29624561 0.87 KMT2A (0.50) EPHX2KMT2ADPP8DPP9CASP3
SCHEMBL178786 0.87 KMT2A (0.50) EPHX2KMT2ADPP8DPP9CASP3

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-2008080223-A1 COMPOSITIONS AND METHODS FOR TREATING HYPERPROLIFERATIVE DISEASE MIGENIX INC. (CA) 2008-07-10 WO disclosed