SCHEMBL12469034

SCHEMBL12469034

O=C(O)OC1CCN(c2ccccc2)C1=O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 3/20 0.56
HDAC6 Q9UBN7 3/20 0.56
DDB1 Q16531 2/20 0.55
CRBN Q96SW2 2/20 0.55
ROCK2 O75116 5/20 0.46
HDAC1 Q13547 1/20 0.46
FPR1 P21462 1/20 0.45
FPR2 P25090 1/20 0.45
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
MCHR1 Q99705 1/20 0.43
USP30 Q70CQ3 1/20 0.42
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41
POLB P06746 1/20 0.40
NOTUM Q6P988 1/20 0.39

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
SCHEMBL15319529 0.91 HDAC8 (0.48) HDAC8HDAC6DDB1CRBNROCK2
SCHEMBL12469011 0.82 HDAC8 (0.49) HDAC8HDAC6DDB1CRBNMEN1
SCHEMBL15552907 0.81 DDB1 (0.56) HDAC8HDAC6DDB1CRBNROCK2
SCHEMBL826584 0.81 DDB1 (0.56) HDAC8HDAC6DDB1CRBNROCK2
SCHEMBL6203746 0.81 NOTUM (0.51) MEN1KMT2ANPC1RAB9AMCHR1
SCHEMBL4974543 0.80 HDAC8 (0.47) HDAC8HDAC6DDB1CRBNROCK2
SCHEMBL21965837 0.78 DDB1 (0.52) HDAC8HDAC6DDB1CRBNROCK2
SCHEMBL21965730 0.78 DDB1 (0.52) HDAC8HDAC6DDB1CRBNROCK2
SCHEMBL15319926 0.76 ALDH1A1 (0.46) HDAC8HDAC6DDB1CRBNMEN1
SCHEMBL308869 0.76 PTPN1 (0.59) HDAC8HDAC6DDB1CRBNROCK2

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
EP-2627631-B1 PYRROLIDINONES AS METAP2 INHIBITORS MERCK PATENT GMBH (DE) 2015-12-16 EP disclosed
EP-2627631-A1 PYRROLIDINONES AS METAP2 INHIBITORS Merck Patent GmbH (DE) 2013-08-21 EP disclosed
WO-2012048775-A1 PYRROLIDINONES AS METAP2 INHIBITORS MERCK PATENT GMBH (DE) 2012-04-19 WO disclosed