SCHEMBL21769600

SCHEMBL21769600

Cc1ccc2c(c1)C(O)(OI)c1cc(C)ccc1-2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDK2 Q15119 6/20 0.47
▸ CA1 P00915 1/20 0.42
▸ CA2 P00918 1/20 0.42
▸ CA4 P22748 1/20 0.42
▸ CA7 P43166 1/20 0.42
▸ CA9 Q16790 1/20 0.42
▸ MAOA P21397 1/20 0.33
▸ MAOB P27338 1/20 0.33
▸ TRPA1 O75762 1/20 0.33
▸ ELANE P08246 1/20 0.32
▸ TDP1 Q9NUW8 2/20 0.32
▸ TP53 P04637 1/20 0.32
▸ CYP1A2 P05177 2/20 0.32
▸ CYP2A6 P11509 2/20 0.32
▸ L3MBTL1 Q9Y468 2/20 0.32
▸ CASP3 P42574 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ ATM Q13315 1/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32
▸ SENP8 Q96LD8 1/20 0.32

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
SCHEMBL15587208 0.78 CA1 (0.54) PDK2CA1CA2CA4CA7
SCHEMBL17448371 0.77 PDK2 (0.41) PDK2CA1CA2CA4CA7
SCHEMBL14394456 0.76 PDK2 (0.52) PDK2CA1CA2CA4CA7
SCHEMBL19934135 0.73 PDK2 (0.44) PDK2CA1CA2CA4CA7
SCHEMBL19286810 0.72 PDK2 (0.47) PDK2CA1CA2CA4CA7
SCHEMBL22373385 0.71 PDK2 (0.47) PDK2CA1CA2CA4CA7
SCHEMBL4368315 0.70 PDK2 (0.46) PDK2CA1CA2CA4CA7
SCHEMBL18390798 0.70 PDK2 (0.42) PDK2CA1CA2CA4CA7
SCHEMBL15613360 0.69 PDK2 (0.64) PDK2CA1CA2CA4CA7
SCHEMBL15142915 0.69 PDK2 (0.48) PDK2CA1CA2CA4CA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11154852-B2 Anion exchange resin, electrolyte membrane, binder for forming electrode catalyst layer, fuel cell electrode catalyst layer and fuel cell UNIVERSITY OF YAMANASHI (JP) 2021-10-26 — — US disclosed
US-20200061599-A1 Anion Exchange Resin, Electrolyte Membrane, Binder For Forming Electrode Catalyst Layer, Fuel Cell Electrode Catalyst Layer And Fuel Cell UNIVERSITY OF YAMANASHI (JP) 2020-02-27 — — US disclosed
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