SCHEMBL7818940

SCHEMBL7818940

O=C1C(O)CCN1c1ccc(Cl)c(Cl)c1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 15/20 0.54
SLC6A4 P31645 15/20 0.54
SLC6A3 Q01959 12/20 0.54
HDAC1 Q13547 1/20 0.53
HDAC8 Q9BY41 1/20 0.53
HDAC6 Q9UBN7 1/20 0.53
CYP2D6 P10635 4/20 0.48
KCNH2 Q12809 4/20 0.48
NOTUM Q6P988 1/20 0.47
ADAM17 P78536 1/20 0.45
CYP2C19 P33261 2/20 0.45
CYP2C9 P11712 1/20 0.45
HTR2C P28335 1/20 0.44
LMNA P02545 1/20 0.44
MAPT P10636 1/20 0.44
ALOX12 P18054 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
L3MBTL1 Q9Y468 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
SCHEMBL21795283 0.86 RAD51 (0.42) SLC6A2SLC6A4SLC6A3HDAC1HDAC8
SCHEMBL11212875 0.82 SLC6A2 (0.59) SLC6A2SLC6A4SLC6A3HDAC1HDAC8
SCHEMBL7441143 0.81 HDAC1 (0.49) SLC6A2SLC6A4SLC6A3HDAC1HDAC8
SCHEMBL3095656 0.81 NOTUM (0.52) SLC6A2SLC6A4SLC6A3HDAC1HDAC8
SCHEMBL7813013 0.78 SLC6A2 (0.64) SLC6A2SLC6A4SLC6A3HDAC1HDAC8
SCHEMBL4847013 0.77 DDB1 (0.43) HDAC1HDAC8HDAC6LMNAMAPT
SCHEMBL29086032 0.77 SLC6A2 (0.48) SLC6A2SLC6A4SLC6A3HDAC1HDAC8
SCHEMBL7806269 0.77 SLC6A2 (0.50) SLC6A2SLC6A4SLC6A3HDAC1HDAC8
SCHEMBL8787893 0.77 CYP17A1 (0.45) SLC6A2SLC6A4SLC6A3HDAC1HDAC8
SCHEMBL11870004 0.76 SLC6A2 (0.64) SLC6A2SLC6A4SLC6A3HDAC1HDAC8

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-1119547-A1 SUBSTITUTED PYRROLIDINONE, THIAZOLIDINONE OR OXAZOLIDINONE AS HERBICIDES Syngenta Limited (GB) 2001-08-01 EP disclosed
WO-2000021928-A1 SUBSTITUTED PYRROLIDINONE, THIAZOLIDINONE OR OXAZOLIDINONE AS HERBICIDES SYNGENTA LIMITED (GB) 2000-04-20 WO disclosed