SCHEMBL29957729

SCHEMBL29957729

Cc1cc(B(O)O)cc2oc(=O)[nH]c12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 3/20 0.38
NOS3 P29474 2/20 0.38
NOS2 P35228 2/20 0.38
SYK P43405 1/20 0.37
GRM5 P41594 6/20 0.35
PDE3B Q13370 1/20 0.33
PDE3A Q14432 1/20 0.33
EPHX2 P34913 1/20 0.33
MCL1 Q07820 1/20 0.33
KMO O15229 1/20 0.33
CREBBP Q92793 1/20 0.32
ALPL P05186 1/20 0.32
ALPI P09923 1/20 0.32
ALPG P10696 1/20 0.32
MEN1 O00255 1/20 0.32
POLB P06746 1/20 0.32
GAA P10253 1/20 0.32
KMT2A Q03164 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
LMNA P02545 1/20 0.31

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
SCHEMBL1700932 1.00 NOS1 (0.38) NOS1NOS3NOS2SYKGRM5
SCHEMBL1285358 0.77 KDR (0.45) NOS1NOS3NOS2SYKGRM5
SCHEMBL11132639 0.77 NOS1 (0.52) NOS1NOS3NOS2SYKGRM5
SCHEMBL1285858 0.76 SYK (0.35) NOS1NOS3NOS2SYKGRM5
SCHEMBL1285628 0.74 NOS1 (0.41) NOS1NOS3NOS2SYKGRM5
SCHEMBL520456 0.74 NOS1 (0.41) NOS1NOS3NOS2SYKGRM5
SCHEMBL15759798 0.74 NOS1 (0.44) NOS1NOS3NOS2SYKGRM5
SCHEMBL1285298 0.74 NOS1 (0.41) NOS1NOS3NOS2SYKGRM5
SCHEMBL1285709 0.73 CREBBP (0.41) NOS1NOS3NOS2SYKGRM5
SCHEMBL1286048 0.73 TTR (0.41) NOS1NOS3NOS2SYKGRM5

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-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed