SCHEMBL20627954

SCHEMBL20627954

CC1(F)OC(F)(F)c2ccc(B3OC(C)(C)C(C)(C)O3)cc21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LPL P06858 13/20 0.45
▸ LIPG Q9Y5X9 13/20 0.45
▸ F11 P03951 2/20 0.39
▸ F2 P00734 1/20 0.37
▸ PRSS1 P07477 1/20 0.37
▸ PRSS2 P07478 1/20 0.37
▸ PRSS3 P35030 1/20 0.37
▸ CA1 P00915 2/20 0.36
▸ CA2 P00918 2/20 0.36
▸ CA9 Q16790 2/20 0.36
▸ CA12 O43570 1/20 0.36
▸ CA3 P07451 1/20 0.36
▸ CA4 P22748 1/20 0.36
▸ CA6 P23280 1/20 0.36
▸ CA5A P35218 1/20 0.36
▸ CA7 P43166 1/20 0.36
▸ CA14 Q9ULX7 1/20 0.36
▸ CA5B Q9Y2D0 1/20 0.36
▸ ROCK1 Q13464 1/20 0.34
▸ ESR2 Q92731 1/20 0.33

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
SCHEMBL15614863 0.92 LPL (0.46) LPLLIPGF11F2PRSS1
SCHEMBL12423977 0.78 LPL (0.41) LPLLIPGF11F2PRSS1
SCHEMBL23568130 0.78 LPL (0.46) LPLLIPGF11F2PRSS1
SCHEMBL15615144 0.78 LPL (0.46) LPLLIPGF11F2PRSS1
SCHEMBL24700307 0.78 LPL (0.46) LPLLIPGF11F2PRSS1
SCHEMBL15614972 0.77 LPL (0.46) LPLLIPGF11CA1CA2
SCHEMBL24275638 0.77 LPL (0.50) LPLLIPGF11CA1CA2
SCHEMBL23294563 0.76 LPL (0.47) LPLLIPGF11F2PRSS1
SCHEMBL16891264 0.76 LPL (0.47) LPLLIPGF11F2PRSS1
SCHEMBL29914599 0.76 LPL (0.47) LPLLIPGF11F2PRSS1

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
EP-3424936-A1 METAL COMPLEXES Merck Patent GmbH (DE) 2019-01-09 — — EP disclosed
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