SCHEMBL6820003

SCHEMBL6820003

Cc1ccc(NC(=O)CCC=O)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.64
HDAC3 O15379 2/20 0.60
HDAC1 Q13547 2/20 0.60
HDAC2 Q92769 2/20 0.60
HDAC10 Q969S8 2/20 0.60
HDAC11 Q96DB2 2/20 0.60
HDAC8 Q9BY41 2/20 0.60
HDAC6 Q9UBN7 2/20 0.60
HDAC4 P56524 1/20 0.60
HDAC7 Q8WUI4 1/20 0.60
HDAC9 Q9UKV0 1/20 0.60
HDAC5 Q9UQL6 1/20 0.60
NCOR2 Q9Y618 1/20 0.58
GLA P06280 1/20 0.54
MAPT P10636 1/20 0.54
KMT2A Q03164 4/20 0.53
MEN1 O00255 3/20 0.53
NPC1 O15118 1/20 0.53
TP53 P04637 1/20 0.53
RAB9A P51151 1/20 0.53

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
SCHEMBL6820308 0.86 GAA (0.57) POLBMAPTKMT2AMEN1TP53
SCHEMBL14578751 0.85 POLB (0.85) POLBHDAC3HDAC1HDAC2HDAC10
SCHEMBL28997137 0.84 POLB (0.62) POLBHDAC3HDAC1HDAC2HDAC10
SCHEMBL6462546 0.82 HDAC3 (0.58) POLBHDAC3HDAC1HDAC2HDAC6
SCHEMBL6820154 0.82 ALDH1A1 (0.60) POLBMAPTKMT2AMEN1NPC1
SCHEMBL8582253 0.81 L3MBTL1 (0.62) HDAC3HDAC1HDAC2HDAC10HDAC11
SCHEMBL1107145 0.81 MAPT (0.74) POLBHDAC3HDAC1HDAC2HDAC10
SCHEMBL517697 0.81 HDAC3 (0.86) POLBHDAC3HDAC1HDAC2HDAC10
SCHEMBL10441109 0.81 CYP1A2 (0.54) POLBMAPTALDH1A1
SCHEMBL5685344 0.81 NPC1 (0.46) POLBMAPTKMT2AMEN1NPC1

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-2004026848-A1 OXAZOLIDINONE DERIVATIVES, PROCESS FOR THEIR PREPERATION AND THEIR USE AS ANTIMYCOBACTERIAL AGENTS LUPIN LIMITED (IN) 2004-04-01 WO disclosed