SCHEMBL13188232

SCHEMBL13188232

O=C(NO)c1ccc(Oc2ccccc2)cc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 5/20 0.71
MMP1 P03956 2/20 0.68
HDAC1 Q13547 5/20 0.66
HDAC6 Q9UBN7 4/20 0.66
CA1 P00915 3/20 0.65
HDAC2 Q92769 2/20 0.65
CA12 O43570 2/20 0.65
CA9 Q16790 2/20 0.65
HDAC3 O15379 1/20 0.65
IDO1 P14902 1/20 0.65
ALOX15 P16050 1/20 0.65
HDAC7 Q8WUI4 1/20 0.65
HSD17B10 Q99714 1/20 0.65
NCOR2 Q9Y618 1/20 0.65
PGR P06401 1/20 0.62
CA2 P00918 2/20 0.60
PARP10 Q53GL7 1/20 0.60
HPGD P15428 2/20 0.59
SRD5A2 P31213 1/20 0.58
BCL2L1 Q07817 1/20 0.58

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
SCHEMBL6671653 0.83 HDAC8 (1.00) HDAC8HDAC1HDAC6CA1HDAC2
SCHEMBL6252549 0.82 HPGD (0.85) MMP1HDAC3PGRPARP10HPGD
SCHEMBL21628916 0.82 HDAC6 (0.77) HDAC8HDAC1HDAC6CA1HDAC2
SCHEMBL13485809 0.82 CA1 (0.58) HDAC8MMP1HDAC1HDAC6CA1
SCHEMBL2835202 0.82 ALDH1A1 (0.65) MMP1CA1CA12CA9HDAC3
SCHEMBL6430869 0.81 HDAC1 (0.62) HDAC8MMP1HDAC1HDAC6HDAC2
SCHEMBL19619022 0.81 PGR (0.86) HDAC8HDAC1HDAC6HDAC2PGR
SCHEMBL22192258 0.81 PGR (0.93) HDAC1PGRHPGDHTTSMN1; SMN2
SCHEMBL5636163 0.81 LTA4H (0.67) MMP1CA1CA12CA9HDAC3
Benzohydroxamate SCHEMBL133061 0.80 HDAC8 (1.00) HDAC8HDAC1HDAC6CA1HDAC2

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-2010100475-A1 HYDROXAMIC ACID DERIVATIVES AS GRAM-NEGATIVE ANTIBACTERIAL AGENTS ASTRAZENECA AB (SE) 2010-09-10 WO disclosed