SCHEMBL8007633

SCHEMBL8007633

COc1nc2ccccc2nc1-c1cccc(/C=C/CC(C)(C)Cc2nnc(C)o2)c1

nearest known ligand 0.31

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
LIPC P11150 2/20 0.31
LIPG Q9Y5X9 2/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
HDAC1 Q13547 1/20 0.30
HDAC8 Q9BY41 1/20 0.30
HDAC6 Q9UBN7 1/20 0.30

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
SCHEMBL8001035 0.87 L3MBTL1 (0.34) LIPCLIPGL3MBTL1HDAC1HDAC8
SCHEMBL8000609 0.86 L3MBTL1 (0.33) LIPCLIPGL3MBTL1HDAC1HDAC8
SCHEMBL7998577 0.84 L3MBTL1 (0.32) LIPCLIPGL3MBTL1HDAC1HDAC8
SCHEMBL7998444 0.83 L3MBTL1 (0.32) LIPCLIPGL3MBTL1HDAC1HDAC8
SCHEMBL10293095 0.83 TP53 (0.32)
SCHEMBL8005068 0.81 L3MBTL1 (0.31) L3MBTL1
SCHEMBL10292761 0.80
SCHEMBL8009276 0.80 L3MBTL1 (0.34) L3MBTL1
SCHEMBL7998527 0.79 GRIN1 (0.35) HDAC1HDAC8HDAC6
SCHEMBL8000613 0.76 L3MBTL1 (0.32) L3MBTL1

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-2009134987-A1 DIFLUOROMETHYL-CONTAINING MACROCYCLIC COMPOUNDS AS HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. (US) 2009-11-05 WO disclosed