SCHEMBL4608876

SCHEMBL4608876

COC(=O)c1cnc(N2CCN(C(=O)OCC(C)C)CC2)s1

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 5/20 0.60
HDAC3 O15379 3/20 0.49
HDAC4 P56524 3/20 0.49
HDAC1 Q13547 3/20 0.49
HDAC7 Q8WUI4 3/20 0.49
HDAC2 Q92769 3/20 0.49
HDAC10 Q969S8 3/20 0.49
HDAC11 Q96DB2 3/20 0.49
HDAC8 Q9BY41 3/20 0.49
HDAC6 Q9UBN7 3/20 0.49
HDAC9 Q9UKV0 3/20 0.49
HDAC5 Q9UQL6 3/20 0.49
OGA O60502 5/20 0.46
CRBN Q96SW2 1/20 0.44
SCD O00767 2/20 0.40
TMPRSS15 P98073 2/20 0.39
KIT P10721 1/20 0.39

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
SCHEMBL16048417 0.80 HDAC3 (0.58) HRH3HDAC3HDAC4HDAC1HDAC7
SCHEMBL4814736 0.80 HDAC3 (0.73) HRH3HDAC3HDAC4HDAC1HDAC7
SCHEMBL2575502 0.80 HRH3 (0.58) HRH3HDAC3HDAC4HDAC1HDAC7
SCHEMBL3159765 0.78 HRH3 (0.54) HRH3HDAC3HDAC4HDAC1HDAC7
SCHEMBL20176409 0.76 HRH3 (0.57) HRH3HDAC3HDAC4HDAC1HDAC7
SCHEMBL4818519 0.76 HRH3 (0.50) HRH3HDAC3HDAC4HDAC1HDAC7
SCHEMBL14844122 0.75 HRH3 (1.00) HRH3
SCHEMBL4813646 0.75 HRH3 (0.49) HRH3HDAC3HDAC4HDAC1HDAC7
SCHEMBL4624452 0.75 HRH3 (0.52) HRH3HDAC3HDAC4HDAC1HDAC7
SCHEMBL4807896 0.74 HDAC3 (0.74) HRH3HDAC3HDAC4HDAC1HDAC7

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-1948649-A2 FUNGICIDAL CARBOXAMIDES E.I. DU PONT DE NEMOURS AND COMPANY (US) 2008-07-30 EP disclosed
WO-2007014290-A2 FUNGICIDAL CARBOXAMIDES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2007-02-01 WO disclosed