SCHEMBL10074112

SCHEMBL10074112

CC1(C)OB(c2ccc3c(c2)Oc2cc(B4OC(C)(C)C(C)(C)O4)ccc2O3)OC1(C)C

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LPL P06858 13/20 0.48
LIPG Q9Y5X9 13/20 0.48
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
CA9 Q16790 2/20 0.41
CA12 O43570 1/20 0.41
CA3 P07451 1/20 0.41
CA4 P22748 1/20 0.41
CA6 P23280 1/20 0.41
CA5A P35218 1/20 0.41
CA7 P43166 1/20 0.41
CA14 Q9ULX7 1/20 0.41
CA5B Q9Y2D0 1/20 0.41
F11 P03951 1/20 0.40
ESR2 Q92731 1/20 0.37
IRAK4 Q9NWZ3 1/20 0.37
EGFR P00533 1/20 0.36
P4HB P07237 1/20 0.36

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
SCHEMBL10074115 1.00 LPL (0.48) LPLLIPGCA1CA2CA9
SCHEMBL47074 0.94 LPL (0.53) LPLLIPGCA1CA2CA9
SCHEMBL17871063 0.90 LPL (0.56) LPLLIPGCA1CA2CA9
SCHEMBL20230728 0.90 AHR (0.55) LPLLIPGCA1CA2CA9
SCHEMBL16863588 0.86 LIPG (0.66) LPLLIPGP4HB
SCHEMBL30869831 0.83 LIPG (0.46) LPLLIPGCA1CA2CA9
SCHEMBL13058013 0.83 LIPG (0.46) LPLLIPGCA1CA2CA9
SCHEMBL16426153 0.83 LIPG (0.44) LPLLIPGCA1CA2CA9
SCHEMBL15614859 0.82 TSHR (0.48) LPLLIPGCA1CA2CA9
SCHEMBL26536425 0.82 LPL (0.39) LPLLIPGCA1CA2CA9

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-2012003642-A1 FUSED TRICYCLIC COMPOUNDS AND USE THEREOF FOR TREATING VIRAL DISEASES MERCK SHARP & DOHME CORP. (US) 2012-01-12 WO disclosed