SCHEMBL23947756

SCHEMBL23947756

CC(=O)C1CCCCC(C(=O)CN2CCc3ccccc3C2c2ccccc2)CCCC1

nearest known ligand 0.60

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 9/20 0.60
PRCP P42785 3/20 0.55
HDAC1 Q13547 8/20 0.52
HDAC2 Q92769 6/20 0.52
HDAC3 O15379 6/20 0.52
NCOR2 Q9Y618 6/20 0.52
HHAT Q5VTY9 3/20 0.43
CYP2D6 P10635 1/20 0.43

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
SCHEMBL25047674 0.99 HDAC8 (0.58) HDAC8PRCPHDAC1HDAC2HDAC3
SCHEMBL24419737 0.99 HDAC8 (0.58) HDAC8PRCPHDAC1HDAC2HDAC3
SCHEMBL23948084 0.98 HDAC8 (0.60) HDAC8PRCPHDAC1HDAC2HDAC3
SCHEMBL25050848 0.93 HDAC8 (0.65) HDAC8PRCPHDAC1HDAC2HDAC3
SCHEMBL23948167 0.84 HHAT (0.56) HDAC8HHAT
SCHEMBL24419937 0.83 HHAT (0.55) HDAC8HHAT
SCHEMBL24419736 0.83 HHAT (0.55) HDAC8HHAT
SCHEMBL25050849 0.76 HHAT (0.54) HDAC8HHAT
SCHEMBL24419936 0.75 HDAC8 (0.62) HDAC8PRCPHDAC1HDAC2HDAC3
SCHEMBL6369541 0.72 PRCP (1.00) HDAC8PRCPHDAC1HDAC2HDAC3

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-2021212010-A2 SMALL MOLECULE ANTIVIRAL DRUG TREATMENT FOR HUMAN PAPILLOMAVIRUS INFECTIONS THE TRUSTEES OF INDIANA UNIVERSITY (US) 2021-10-21 WO disclosed