SCHEMBL7752075

SCHEMBL7752075

O=C(CCCCCC(=O)N1CCOCC1)NO

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLA P06280 1/20 0.57
HDAC1 Q13547 4/20 0.56
HDAC6 Q9UBN7 4/20 0.52
HDAC3 O15379 2/20 0.52
HDAC2 Q92769 2/20 0.52
HDAC8 Q9BY41 2/20 0.52
HDAC5 Q9UQL6 2/20 0.52
L3MBTL1 Q9Y468 2/20 0.49
RAB9A P51151 1/20 0.49
LMNA P02545 2/20 0.45
POLB P06746 1/20 0.45
TSHR P16473 1/20 0.45
USP2 O75604 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
HDAC4 P56524 1/20 0.44
HDAC7 Q8WUI4 1/20 0.44
HDAC10 Q969S8 1/20 0.44

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
SCHEMBL7694058 0.87 GLA (0.65) GLAL3MBTL1RAB9ALMNAPOLB
SCHEMBL9415751 0.85 GLA (0.67) GLAL3MBTL1RAB9ALMNAPOLB
SCHEMBL12395359 0.84 ATM (0.63) HDAC1HDAC6HDAC3HDAC2HDAC8
SCHEMBL3997411 0.84 HDAC1 (0.43) GLAHDAC1HDAC6HDAC3HDAC2
SCHEMBL15480397 0.82 ATM (0.61) HDAC1HDAC6HDAC3HDAC2HDAC8
SCHEMBL9113643 0.80 GLA (0.57) GLAL3MBTL1RAB9ALMNAPOLB
SCHEMBL27415961 0.80 GLA (0.57) GLAL3MBTL1RAB9ALMNAPOLB
SCHEMBL9160397 0.80 GLA (0.57) GLAL3MBTL1RAB9ALMNAPOLB
SCHEMBL9113633 0.80 GLA (0.57) GLAL3MBTL1RAB9ALMNAPOLB
SCHEMBL29426399 0.79 HDAC1 (0.52) HDAC1HDAC6HDAC3HDAC2HDAC8

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1066273-A1 METALLOPROTEINASE INHIBITORS BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 2001-01-10 EP disclosed
WO-1999048881-A1 METALLOPROTEINASE INHIBITORS BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 1999-09-30 WO disclosed