SCHEMBL29955038

SCHEMBL29955038

N#Cc1ccc(B(O)O)cc1O

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 7/20 0.48
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
UPP1 Q16831 1/20 0.34
TTR P02766 1/20 0.34
TSHR P16473 1/20 0.33

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
SCHEMBL22683618 1.00 ENPP2 (0.48) ENPP2CA1CA2UPP1TTR
SCHEMBL13139989 0.83 ENPP2 (0.48) ENPP2CA1CA2TTR
SCHEMBL15156401 0.83 ENPP2 (0.52) ENPP2CA1CA2TTRTSHR
SCHEMBL29825814 0.78 TRPV4 (0.52) ENPP2
SCHEMBL14120471 0.78 TRPV4 (0.52) ENPP2TTR
SCHEMBL211234 0.78 TRPV4 (0.52) ENPP2
SCHEMBL29953195 0.78 ENPP2 (0.47) ENPP2CA1CA2TTRTSHR
SCHEMBL3267439 0.78 ENPP2 (0.47) ENPP2CA1CA2TTRTSHR
SCHEMBL247641 0.73 ENPP2 (0.47) ENPP2CA1CA2
SCHEMBL473832 0.73 ENPP2 (0.47) ENPP2CA1CA2TTR

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