SCHEMBL20052279

SCHEMBL20052279

CC(=O)c1c(CC(C)(C)C)cccc1B(O)O

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.37
GABRA1 P14867 1/20 0.34
GABRB2 P47870 1/20 0.34
LIPG Q9Y5X9 1/20 0.34
RIPK1 Q13546 2/20 0.33
LIPE Q05469 1/20 0.30
IAPP P10997 1/20 0.30
CYP2C19 P33261 1/20 0.30
HIF1A Q16665 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
SCHEMBL15698123 0.76 LIPG (0.50) GABRA1GABRB2LIPGRIPK1LIPE
SCHEMBL16576671 0.75 LIPG (0.38) GABRA1GABRB2LIPGRIPK1LIPE
SCHEMBL20052255 0.74 THRB (0.33) THRBGABRA1GABRB2
SCHEMBL1275546 0.73 GABRA1 (0.40) THRBGABRA1GABRB2RIPK1CYP2C19
SCHEMBL1685206 0.73 GABRA1 (0.40) THRBGABRA1GABRB2RIPK1IAPP
SCHEMBL21651053 0.71 RIPK1 (0.38) GABRA1GABRB2RIPK1
SCHEMBL3784961 0.71 THRB (0.45) THRB
SCHEMBL31461653 0.69 THRB (0.43) THRB
SCHEMBL15698106 0.69 RIPK1 (0.42) GABRA1GABRB2LIPGRIPK1LIPE
SCHEMBL16576714 0.69 RIPK1 (0.35) GABRA1GABRB2LIPGRIPK1

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
US-9943603-B2 Coferons and methods of making and using them CORNELL UNIVERSITY (US) 2018-04-17 US disclosed