SCHEMBL6236400

SCHEMBL6236400

CCC(=C(\B1OC(C)(C)C(C)(C)O1)c1ccccc1)/C(CC)=C(\B1OC(C)(C)C(C)(C)O1)c1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.36
LPL P06858 2/20 0.36
LIPG Q9Y5X9 2/20 0.36
ANPEP P15144 1/20 0.36
LAP3 P28838 1/20 0.36
P4HB P07237 1/20 0.35
CES2 O00748 2/20 0.35
CES1 P23141 2/20 0.35
ALDH1A1 P00352 2/20 0.33
RAB9A P51151 2/20 0.33
HPGD P15428 1/20 0.33
F2 P00734 1/20 0.32
PRSS1 P07477 1/20 0.32
ESR1 P03372 2/20 0.32
CYP19A1 P11511 1/20 0.32
ESR2 Q92731 1/20 0.32
APLNR P35414 1/20 0.31
MAPT P10636 3/20 0.30
SMN1; SMN2 Q16637 2/20 0.30
GAA P10253 1/20 0.30

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
SCHEMBL6236403 1.00 ATM (0.36) ATMLPLLIPGANPEPLAP3
SCHEMBL6236396 1.00 ATM (0.36) ATMLPLLIPGANPEPLAP3
SCHEMBL6236173 0.85 LPL (0.42) ATMLPLLIPGANPEPLAP3
SCHEMBL6236165 0.85 LPL (0.42) ATMLPLLIPGANPEPLAP3
SCHEMBL6236171 0.85 LPL (0.42) ATMLPLLIPGANPEPLAP3
SCHEMBL6232861 0.85 ATM (0.35) ATMLPLLIPGANPEPLAP3
SCHEMBL6232862 0.85 ATM (0.35) ATMLPLLIPGANPEPLAP3
SCHEMBL5899539 0.80 LPL (0.39) LPLLIPGANPEPLAP3P4HB
SCHEMBL6233672 0.76 ATM (0.36) ATMLPLLIPGANPEPLAP3
SCHEMBL6233669 0.76 ATM (0.36) ATMLPLLIPGANPEPLAP3

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
EP-1121365-B1 ORGANOBORON DERIVATIVES AND PROCESS FOR COUPLING ORGANIC COMPOUNDS COMMW SCIENT IND RES ORG (AU) 2005-06-08 EP disclosed
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