SCHEMBL8554783

SCHEMBL8554783

CC(C)(CCl)C(=O)NC1CCN(c2cc(Cl)cc(Cl)c2)C1=O

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 5/20 0.39
HDAC1 Q13547 4/20 0.39
HDAC8 Q9BY41 4/20 0.39
FPR2 P25090 6/20 0.37
FPR1 P21462 5/20 0.37
SSTR4 P31391 3/20 0.36
CCR2 P41597 2/20 0.36
KLKB1 P03952 2/20 0.35
SSTR1 P30872 1/20 0.35
ITGB3 P05106 1/20 0.34
ITGA2B P08514 1/20 0.34

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
SCHEMBL8555027 0.86 HDAC6 (0.43) HDAC6HDAC1HDAC8FPR2FPR1
SCHEMBL8552381 0.79 MCHR1 (0.47) HDAC6SSTR4CCR2SSTR1
SCHEMBL8670578 0.77 HDAC6 (0.40) HDAC6HDAC1HDAC8FPR2FPR1
SCHEMBL8670568 0.77 SSTR4 (0.46) HDAC6HDAC1HDAC8SSTR4SSTR1
SCHEMBL8670567 0.77 MCHR1 (0.39) HDAC6HDAC1HDAC8FPR2FPR1
SCHEMBL7806223 0.74 F10 (0.43) HDAC6HDAC1HDAC8
SCHEMBL8595364 0.70 MCHR1 (0.47) HDAC6FPR2FPR1CCR2
SCHEMBL8554800 0.69 MCHR1 (0.46) HDAC6FPR2FPR1CCR2
SCHEMBL19471943 0.67 HDAC1 (0.61) HDAC6HDAC1HDAC8FPR2FPR1
SCHEMBL19471942 0.67 HDAC1 (0.61) HDAC6HDAC1HDAC8FPR2FPR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0863894-A1 SUBSTITUTED PYRROLIDINONE, THIAZOLIDINONE OR OXAZOLIDINONE AS HERBICIDES ZENECA LIMITED (GB) 1998-09-16 EP disclosed
US-5705456-A AZETIDIN-2-ONES ZENECA LIMITED (GB) 1998-01-06 US disclosed
WO-1997020838-A1 SUBSTITUTED PYRROLIDINONE, THIAZOLIDINONE OR OXAZOLIDINONE AS HERBICIDES ZENECA LIMITED (GB) 1997-06-12 WO disclosed