SCHEMBL8166709

SCHEMBL8166709

Cc1ccc(B(O)O)s1.OB(O)c1cc2ccccc2s1

nearest known ligand 0.74

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 1/20 0.74
CYP2A6 P11509 2/20 0.39
BCL2L1 Q07817 1/20 0.38
APP P05067 2/20 0.36
ADRB2 P07550 1/20 0.36
HDAC3 O15379 1/20 0.36
HDAC4 P56524 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC7 Q8WUI4 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC10 Q969S8 1/20 0.36
HDAC11 Q96DB2 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
HDAC9 Q9UKV0 1/20 0.36
HDAC5 Q9UQL6 1/20 0.36

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
SCHEMBL8212 0.86 MGLL (1.00) MGLLCYP2A6BCL2L1APPHDAC3
Boric Acid SCHEMBL28420308 0.84 MGLL (0.96) MGLLCYP2A6BCL2L1APPHDAC3
SCHEMBL22684749 0.81 MGLL (0.82) MGLLCYP2A6BCL2L1APPADRB2
SCHEMBL130322 0.78
SCHEMBL793130 0.75 MGLL (0.71) MGLLCYP2A6BCL2L1APPADRB2
SCHEMBL16633487 0.75 MGLL (0.77) MGLLCYP2A6BCL2L1APPADRB2
SCHEMBL1668694 0.72 MGLL (0.70) MGLLCYP2A6BCL2L1APP
SCHEMBL28214352 0.72 MGLL (0.71) MGLL
SCHEMBL29395040 0.72 MGLL (0.71) MGLL
SCHEMBL19833867 0.70 MGLL (0.69) MGLLCYP2A6BCL2L1APPADRB2

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-0968158-A1 METHOD OF PREPARING SUBSTITUTED INDANONES, THE SUBSTITUTED INDANONES AND METALLOCENES PREPARED THEREFROM Basell Polyolefine GmbH (DE) 2000-01-05 EP disclosed
WO-1998040331-A1 PREPARATION OF PREPARING SUBSTITUTED INDANONES TARGOR GMBH (DE) 1998-09-17 WO disclosed