SCHEMBL2406724

SCHEMBL2406724

Cc1cc(C(=O)NO)ccc1CCNC(=O)C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 12/20 0.59
HSD11B1 P28845 2/20 0.47
HDAC11 Q96DB2 4/20 0.46
HDAC4 P56524 2/20 0.46
HDAC7 Q8WUI4 2/20 0.46
HDAC8 Q9BY41 2/20 0.46
HDAC9 Q9UKV0 2/20 0.46
HDAC5 Q9UQL6 2/20 0.46
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
EPHX2 P34913 1/20 0.43
KDM4E B2RXH2 1/20 0.42
HTT P42858 1/20 0.42

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
SCHEMBL2472510 0.86 HDAC11 (0.55) HDAC6HSD11B1HDAC11HDAC4HDAC7
SCHEMBL20535895 0.74 HDAC6 (1.00) HDAC6HDAC11HDAC4HDAC7HDAC8
SCHEMBL2406722 0.74 CYP17A1 (0.50) HDAC6
SCHEMBL461685 0.73 ESR1 (0.61) HDAC6HSD11B1MEN1KMT2AKDM4E
SCHEMBL2475381 0.70 HDAC6 (0.52) HDAC6HDAC8MEN1KMT2AEPHX2
SCHEMBL2413536 0.70 HDAC6 (0.56) HDAC6HDAC8MEN1KMT2AEPHX2
SCHEMBL2409200 0.69 HDAC6 (0.58) HDAC6HDAC11HDAC4HDAC7HDAC8
SCHEMBL29151632 0.68 HDAC6 (0.54) HDAC6HDAC8
Dopamantine SCHEMBL122326 0.68 SPHK2 (0.67) HSD11B1MEN1KMT2AKDM4EHTT
SCHEMBL11740707 0.67 SMN1; SMN2 (0.73) HSD11B1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011106632-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-09-01 WO disclosed