SCHEMBL9999708

SCHEMBL9999708

CCOC(=O)c1cc(C2(C)c3cc(B4OC(C)(C)C(C)(C)O4)ccc3-c3ccc(B4OC(C)(C)C(C)(C)O4)cc32)ccc1C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HIF1A Q16665 4/20 0.36
▸ UCHL1 P09936 1/20 0.34
▸ TSHR P16473 1/20 0.33
▸ LIPG Q9Y5X9 4/20 0.33
▸ LPL P06858 3/20 0.33
▸ CA12 O43570 2/20 0.32
▸ CA1 P00915 2/20 0.32
▸ CA2 P00918 2/20 0.32
▸ CA7 P43166 2/20 0.32
▸ CA9 Q16790 2/20 0.32
▸ CA14 Q9ULX7 2/20 0.32
▸ BACE1 P56817 1/20 0.32
▸ BACE2 Q9Y5Z0 1/20 0.32
▸ PRMT5 O14744 1/20 0.32
▸ WDR77 Q9BQA1 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ CYP4F2 P78329 1/20 0.32
▸ CYP4A11 Q02928 1/20 0.32
▸ ROCK1 Q13464 1/20 0.31

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
SCHEMBL10184702 0.85 TSHR (0.42) HIF1AUCHL1TSHRLIPGLPL
SCHEMBL14929194 0.82 HIF1A (0.33) HIF1AUCHL1
SCHEMBL18560275 0.82 CA12 (0.44) HIF1AUCHL1TSHRCA12CA1
SCHEMBL9999691 0.80 ALDH1A1 (0.42) TSHRCA12CA1CA2CA7
SCHEMBL2782538 0.78 CA1 (0.43) HIF1AUCHL1TSHRLIPGLPL
SCHEMBL12924858 0.77 LPL (0.33) HIF1ATSHRLIPGLPLALDH1A1
SCHEMBL4819962 0.77 HIF1A (0.44) HIF1AUCHL1TSHRLIPGLPL
SCHEMBL20464876 0.77 HIF1A (0.34) HIF1AUCHL1TSHR
SCHEMBL22859291 0.77 CA12 (0.42) HIF1AUCHL1LIPGLPLCA12
SCHEMBL991767 0.76 LPL (0.36) HIF1ATSHRLIPGLPLALDH1A1

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
WO-2012011510-A1 ORGANIC EL ELEMENT 住友化学株式会社 (JP) 2012-01-26 — — WO disclosed
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