SCHEMBL29956136

SCHEMBL29956136

OCc1ccc2cc(B(O)O)ccc2c1

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 3/20 0.59
CA2 P00918 3/20 0.57
CA1 P00915 2/20 0.57
LPL P06858 6/20 0.43
LIPG Q9Y5X9 6/20 0.43
F11 P03951 1/20 0.42
CA12 O43570 1/20 0.42
CA3 P07451 1/20 0.42
CA4 P22748 1/20 0.42
CA6 P23280 1/20 0.42
CA5A P35218 1/20 0.42
CA7 P43166 1/20 0.42
CA9 Q16790 1/20 0.42
CA14 Q9ULX7 1/20 0.42
CA5B Q9Y2D0 1/20 0.42
HSD17B10 Q99714 1/20 0.37
TRPV1 Q8NER1 1/20 0.36
MGLL Q99685 1/20 0.36

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
SCHEMBL16687427 1.00 ENPP2 (0.59) ENPP2CA2CA1LPLLIPG
SCHEMBL29954650 0.94 ENPP2 (0.57) ENPP2CA2CA1LPLLIPG
SCHEMBL205203 0.82 CA2 (0.80) ENPP2CA2CA1LPLLIPG
SCHEMBL31354846 0.82 CA2 (0.80) ENPP2CA2CA1LPLLIPG
SCHEMBL29749150 0.82 CA2 (0.54) ENPP2CA2CA1CA12CA3
SCHEMBL1206769 0.82 CA2 (0.54) ENPP2CA2CA1CA12CA3
SCHEMBL15981478 0.79 CA1 (0.52) CA2CA1LPLLIPGF11
SCHEMBL19796248 0.79 LPL (0.66) ENPP2CA2CA1LPLLIPG
SCHEMBL28864355 0.77 ALDH1A1 (0.50) ENPP2CA2CA1LPLLIPG
SCHEMBL112402 0.77 LPL (0.61) 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