SCHEMBL4293100

SCHEMBL4293100

O=C1NC(C(=O)O)CC1Cc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DDB1 Q16531 1/20 0.46
CRBN Q96SW2 1/20 0.46
MME P08473 10/20 0.44
CTSD P07339 1/20 0.44
BACE1 P56817 1/20 0.44
ACE P12821 5/20 0.43
MMP13 P45452 1/20 0.40
HDAC8 Q9BY41 1/20 0.40

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
SCHEMBL7451040 1.00 DDB1 (0.46) DDB1CRBNMMECTSDBACE1
SCHEMBL4293099 1.00 DDB1 (0.46) DDB1CRBNMMECTSDBACE1
SCHEMBL2578395 0.84 CTSD (0.45) DDB1CRBNCTSDBACE1MMP13
SCHEMBL4302079 0.84 CTSD (0.45) DDB1CRBNCTSDBACE1MMP13
SCHEMBL7057956 0.82 KDM4E (0.45) MMEACEHDAC8
SCHEMBL2790837 0.82 MEN1 (0.45) DDB1CRBNCTSDBACE1
SCHEMBL2790835 0.82 MEN1 (0.45) DDB1CRBNCTSDBACE1
SCHEMBL22980561 0.81 BCHE (0.44) MMEACEMMP13
SCHEMBL29200800 0.81 BCHE (0.44) MMEACEMMP13
SCHEMBL29200798 0.81 BCHE (0.44) MMEACEMMP13

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-2009038412-A2 BETA-SECRETASE INHIBITING COMPOUNDS LG LIFE SCIENCES, LTD. (KR) 2009-03-26 WO disclosed