SCHEMBL6423729

SCHEMBL6423729

NCCC(=O)OC(=O)CCCc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 4/20 0.58
HDAC3 O15379 3/20 0.58
HDAC2 Q92769 3/20 0.58
HDAC8 Q9BY41 3/20 0.58
HDAC6 Q9UBN7 3/20 0.58
HDAC5 Q9UQL6 3/20 0.58
HDAC4 P56524 2/20 0.58
HDAC7 Q8WUI4 2/20 0.58
HDAC10 Q969S8 2/20 0.58
HDAC11 Q96DB2 2/20 0.58
HDAC9 Q9UKV0 2/20 0.58
MAPK1 P28482 1/20 0.58
ADRA1A P35348 1/20 0.58
SLC6A3 Q01959 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
TDP1 Q9NUW8 5/20 0.56
KMT2A Q03164 3/20 0.56
NPC1 O15118 1/20 0.53
CASP3 P42574 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
SCHEMBL2222140 0.93 HDAC1 (0.67) HDAC1HDAC3HDAC2HDAC8HDAC6
SCHEMBL9369410 0.91 HDAC1 (0.56) HDAC1HDAC3HDAC2HDAC8HDAC6
SCHEMBL17223648 0.91 HDAC1 (0.64) HDAC1HDAC3HDAC2HDAC8HDAC6
SCHEMBL7431738 0.89 TDP1 (0.63) HDAC1HDAC3HDAC2HDAC8HDAC6
SCHEMBL13498527 0.89 MAPT (0.63) HDAC1HDAC3HDAC2HDAC8HDAC6
SCHEMBL8790943 0.87 MAPT (0.66) HDAC1HDAC3HDAC2HDAC8HDAC6
SCHEMBL9369920 0.86 MAPT (0.56) HDAC1HDAC3HDAC2HDAC8HDAC6
SCHEMBL544942 0.86 HDAC1 (0.58) HDAC1HDAC3HDAC2HDAC8HDAC6
SCHEMBL7703558 0.86 HDAC1 (0.58) HDAC1HDAC3HDAC2HDAC8HDAC6
SCHEMBL27830141 0.86 TDP1 (0.60) HDAC1HDAC3HDAC2HDAC8HDAC6

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-1572661-A1 CRYSTALLINE FORM OF QUINAPRIL HYDROCHLORIDE AND PROCESS FOR PREPARING THE SAME Lupin Limited (IN) 2005-09-14 EP disclosed
WO-2004054980-A1 CRYSTALLINE FORM OF QUINAPRIL HYDROCHLORIDE AND PROCESS FOR PREPARING THE SAME LUPIN LIMITED (IN) 2004-07-01 WO disclosed