SCHEMBL19975967

SCHEMBL19975967

CC(C)(C)BCc1cccc(B(O)O)c1F

nearest known ligand 0.37

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
LIPG Q9Y5X9 1/20 0.34
GABRA1 P14867 1/20 0.31
GABRB2 P47870 1/20 0.31
RIPK1 Q13546 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
SCHEMBL19975996 0.82 LIPG (0.46) LIPGGABRA1GABRB2
SCHEMBL16576660 0.75 LIPG (0.39) LIPGGABRA1GABRB2RIPK1
SCHEMBL18706647 0.74 LIPG (0.40) LIPGGABRA1GABRB2
SCHEMBL17236536 0.74 LIPG (0.40) LIPGGABRA1GABRB2
SCHEMBL9939108 0.74 LIPG (0.40) LIPG
SCHEMBL29954506 0.74 LIPG (0.40) LIPGGABRA1GABRB2
SCHEMBL15536431 0.74 GABRA1 (0.46) LIPGGABRA1GABRB2RIPK1
SCHEMBL19975995 0.73 AKR1B1 (0.38)
Hydrochloric Acid SCHEMBL16396387 0.73 F11 (0.41) LIPG
SCHEMBL25745449 0.71 ENPP2 (0.42) LIPG

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-9920085-B2 Boronic acid conjugates of oligonucleotide analogues SAREPTA THERAPEUTICS, INC. (US) 2018-03-20 US disclosed