SCHEMBL29953722

SCHEMBL29953722

COCOc1ccc(B(O)O)cn1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 4/20 0.38
CA2 P00918 3/20 0.38
CA1 P00915 2/20 0.38
LPL P06858 3/20 0.34
LIPG Q9Y5X9 3/20 0.34
MAPT P10636 2/20 0.34
KDR P35968 2/20 0.33
NNMT P40261 1/20 0.32
KDM4E B2RXH2 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
PTPN1 P18031 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
SCHEMBL29377228 0.84 KDR (0.43) ENPP2CA2CA1LPLLIPG
SCHEMBL21916886 0.84 KDR (0.43) ENPP2CA2CA1LPLLIPG
SCHEMBL29825692 0.81 MAPT (0.51) ENPP2CA2CA1LPLLIPG
SCHEMBL4540 0.81 MAPT (0.51) ENPP2CA2CA1LPLLIPG
SCHEMBL4942 0.81 ENPP2 (0.48) ENPP2CA2CA1LPLLIPG
SCHEMBL29643889 0.81 ENPP2 (0.48) ENPP2CA2CA1LPLLIPG
SCHEMBL31695872 0.80 KDR (0.41) ENPP2CA2CA1LIPGMAPT
SCHEMBL20745344 0.80 KDR (0.41) ENPP2CA2CA1LIPGMAPT
Hydrochloric Acid SCHEMBL1870385 0.79 ENPP2 (0.47) ENPP2CA2CA1LPLLIPG
SCHEMBL29957176 0.79 LPL (0.40) ENPP2CA2CA1LPLLIPG

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