SCHEMBL6237447

SCHEMBL6237447

CC1(C)[C@@H]2C[C@@H]3OB(/C(=C(\B4O[C@@H]5C[C@@H]6C[C@@H](C6(C)C)[C@]5(C)O4)c4ccccc4)c4ccccc4)O[C@]3(C)[C@@H]1C2

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ PREP P48147 8/20 0.53
▸ PSEN1 P49768 1/20 0.45
▸ PSEN2 P49810 1/20 0.45
▸ APH1B Q8WW43 1/20 0.45
▸ NCSTN Q92542 1/20 0.45
▸ APH1A Q96BI3 1/20 0.45
▸ PSENEN Q9NZ42 1/20 0.45
▸ PSMB5 P28074 5/20 0.43
▸ F2 P00734 5/20 0.42
▸ PRSS1 P07477 2/20 0.42
▸ CXCR2 P25025 1/20 0.39

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
SCHEMBL6237454 1.00 PREP (0.53) PREPPSEN1PSEN2APH1BNCSTN
SCHEMBL12721154 0.77 PREP (0.48) PREPPSEN1PSEN2APH1BNCSTN
SCHEMBL13720661 0.77 PREP (0.48) PREPPSEN1PSEN2APH1BNCSTN
SCHEMBL23662476 0.74 PSMB5 (0.46) PREPPSEN1PSEN2APH1BNCSTN
SCHEMBL22439241 0.72 PSMB5 (0.45) PREPPSEN1PSEN2APH1BNCSTN
SCHEMBL23665670 0.72 PSMB5 (0.45) PREPPSEN1PSEN2APH1BNCSTN
SCHEMBL23662666 0.72 PSMB5 (0.45) PREPPSEN1PSEN2APH1BNCSTN
SCHEMBL23451168 0.70 PREP (0.40) PREPPSEN1PSEN2APH1BNCSTN
SCHEMBL19889110 0.70 PREP (0.40) PREPPSEN1PSEN2APH1BNCSTN
SCHEMBL21911589 0.70 PREP (0.40) PREPPSEN1PSEN2APH1BNCSTN

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
EP-1121365-B1 ORGANOBORON DERIVATIVES AND PROCESS FOR COUPLING ORGANIC COMPOUNDS COMMW SCIENT IND RES ORG (AU) 2005-06-08 — — EP claimed
US-6713566-B1 CATALYTIC HYDROBORATION OF OLEFINIC OR ACETYLENIC FUNCTIONA-LIZED MATERIAL UNDER MILD CONDITIONS COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 2004-03-30 — — US claimed
US-6713566-B1 CATALYTIC HYDROBORATION OF OLEFINIC OR ACETYLENIC FUNCTIONA-LIZED MATERIAL UNDER MILD CONDITIONS COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 2004-03-30 — — US disclosed
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