SCHEMBL16891300

SCHEMBL16891300

CCC1(C)OB(c2ccc3c(c2)C(F)(F)C(F)(F)c2cc(B4OC(C)(C)C(C)(C)O4)ccc2-3)OC1(C)C

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ LPL P06858 13/20 0.41
▸ LIPG Q9Y5X9 13/20 0.41
▸ F11 P03951 1/20 0.34
▸ HIF1A Q16665 1/20 0.33
▸ ROCK1 Q13464 1/20 0.33
▸ ESR2 Q92731 1/20 0.32
▸ CA1 P00915 2/20 0.32
▸ CA2 P00918 2/20 0.32
▸ CA9 Q16790 2/20 0.32
▸ CA12 O43570 1/20 0.32
▸ CA3 P07451 1/20 0.32
▸ CA4 P22748 1/20 0.32
▸ CA6 P23280 1/20 0.32
▸ CA5A P35218 1/20 0.32
▸ CA7 P43166 1/20 0.32
▸ CA14 Q9ULX7 1/20 0.32
▸ CA5B Q9Y2D0 1/20 0.32
▸ PRMT5 O14744 1/20 0.31
▸ WDR77 Q9BQA1 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
SCHEMBL16891264 0.88 LPL (0.47) LPLLIPGF11ROCK1ESR2
SCHEMBL22753278 0.83 LIPG (0.40) LPLLIPGF11HIF1AROCK1
SCHEMBL18682054 0.80 LIPG (0.59) LPLLIPGF11ESR2CA1
SCHEMBL9901342 0.79 LIPG (0.47) LPLLIPGF11HIF1AESR2
SCHEMBL23294563 0.79 LPL (0.47) LPLLIPGF11ROCK1ESR2
SCHEMBL29914599 0.79 LPL (0.47) LPLLIPGF11ROCK1ESR2
SCHEMBL69358 0.78 LIPG (0.47) LPLLIPGF11ESR2CA1
SCHEMBL19561404 0.77 LPL (0.40) LPLLIPGF11HIF1AESR2
SCHEMBL12865795 0.76 HIF1A (0.40) LPLLIPGF11HIF1AESR2
SCHEMBL16435209 0.76 LIPG (0.44) LPLLIPGF11ESR2CA1

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-3091010-A1 9,9,10,10-TETRAFLUORO-9,10-DIHYDROPHENANTHRENE HEPATITIS C VIRUS INHIBITOR AND APPLICATION THEREOF Nanjing Sanhome Pharmaceutical Co., Ltd. (CN) 2016-11-09 — — EP disclosed
WO-2015101215-A1 9,9,10,10-TETRAFLUORO-9,10-DIHYDROPHENANTHRENE HEPATITIS C VIRUS INHIBITOR AND APPLICATION THEREOF 南京圣和药业股份有限公司 2015-07-09 — — WO disclosed
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