SCHEMBL3363016

SCHEMBL3363016

CCC(=O)Cc1ncc(-c2ccccc2)o1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 2/20 0.59
RXRA P19793 2/20 0.57
RXRB P28702 2/20 0.57
RXRG P48443 2/20 0.57
HDAC3 O15379 1/20 0.50
HDAC4 P56524 1/20 0.50
HDAC1 Q13547 1/20 0.50
HDAC7 Q8WUI4 1/20 0.50
HDAC2 Q92769 1/20 0.50
HDAC10 Q969S8 1/20 0.50
HDAC11 Q96DB2 1/20 0.50
HDAC8 Q9BY41 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50
HDAC9 Q9UKV0 1/20 0.50
HDAC5 Q9UQL6 1/20 0.50
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
CLK1 P49759 1/20 0.49
GFER P55789 1/20 0.49
FFAR1 O14842 1/20 0.48

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
SCHEMBL3399146 0.85 HDAC1 (0.53) NOTUMRXRARXRBRXRGHDAC3
SCHEMBL13335161 0.84 RXRA (0.68) NOTUMRXRARXRBRXRGHDAC3
SCHEMBL15606558 0.81 HDAC1 (0.70) NOTUMRXRARXRBRXRGHDAC3
SCHEMBL1696557 0.79 NOTUM (0.68) NOTUMRXRARXRBRXRGHDAC3
SCHEMBL3363018 0.76 RXRA (0.74) NOTUMRXRARXRBRXRGHDAC3
SCHEMBL15427231 0.76 NOTUM (0.64) NOTUMRXRARXRBRXRGHDAC3
SCHEMBL18567080 0.75 NOTUM (1.00) NOTUMRXRARXRBRXRGHDAC3
SCHEMBL18169217 0.75 RXRA (0.94) NOTUMRXRARXRBRXRGHDAC3
SCHEMBL11579294 0.75 NOTUM (0.63) NOTUMRXRARXRBRXRGHDAC3
SCHEMBL15621589 0.73 NOTUM (0.60) NOTUMRXRARXRBRXRGHDAC3

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-2010046780-A2 ANTI VIRAL COMPOUNDS INSTITUT PASTEUR KOREA (KR) 2010-04-29 WO disclosed