SCHEMBL29953867

SCHEMBL29953867

CCOc1ccc2cc(B(O)O)ccc2c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.52
CA2 P00918 2/20 0.52
AKR1C3 P42330 1/20 0.47
AKR1C2 P52895 1/20 0.47
NQO1 P15559 1/20 0.46
ENPP2 Q13822 1/20 0.44
CA12 O43570 1/20 0.44
CYP1A2 P05177 1/20 0.44
CA4 P22748 1/20 0.44
CA6 P23280 1/20 0.44
CA5A P35218 1/20 0.44
CA7 P43166 1/20 0.44
CA9 Q16790 1/20 0.44
CA14 Q9ULX7 1/20 0.44
CA5B Q9Y2D0 1/20 0.44
CYP11B1 P15538 2/20 0.43
CYP11B2 P19099 2/20 0.43
CYP19A1 P11511 1/20 0.43
ABL1 P00519 1/20 0.40
KDM4E B2RXH2 2/20 0.40

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
SCHEMBL8514 1.00 CA1 (0.52) CA1CA2AKR1C3AKR1C2NQO1
SCHEMBL4084548 0.86 CA1 (0.48) CA1CA2CA12CA4CA6
SCHEMBL29954116 0.83 NR5A1 (0.49) CA1CA2CA12CA4CA6
SCHEMBL9072 0.82 NQO1 (0.64) CA1CA2NQO1ENPP2LTA4H
SCHEMBL4748948 0.82 NR5A1 (0.51) CA1CA2LTA4HTSHRLPL
SCHEMBL29629327 0.82 NQO1 (0.68) CA1AKR1C3AKR1C2NQO1CA12
SCHEMBL3825385 0.82 NQO1 (0.68) CA1AKR1C3AKR1C2NQO1CA12
SCHEMBL8505542 0.82 NR5A1 (0.51) CA1CA2LTA4HTSHRLPL
SCHEMBL4748959 0.82 NR5A1 (0.51) CA1CA2LTA4HTSHRLPL
SCHEMBL2560860 0.81 CA1 (0.47) CA1CA2AKR1C3AKR1C2ENPP2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119674208-A PEO-PAN-based polymer electrolyte membrane and preparation method and application thereof 山东创鲁先进电池科技有限公司 2025-03-21 CN disclosed
CN-118715015-A Selective PHD1 inhibitor compounds, compositions and methods of use 阿克比治疗有限公司 2024-09-27 CN disclosed
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed