SCHEMBL17849690

SCHEMBL17849690

CC1(C)c2cc(B3OC(C)(C)C(C)(C)O3)cc3ccc4cc(B5OC(C)(C)C(C)(C)O5)cc1c4c23

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LPL P06858 13/20 0.46
LIPG Q9Y5X9 13/20 0.46
F11 P03951 1/20 0.38
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
IRAK4 Q9NWZ3 1/20 0.35
FFAR1 O14842 1/20 0.33
SNCA P37840 1/20 0.33
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
SCHEMBL15907509 0.91 LPL (0.40) LPLLIPGF11CA1CA2
SCHEMBL12982551 0.91 LIPG (0.47) LPLLIPGF11CA1CA2
SCHEMBL15423231 0.87 LIPG (0.54) LPLLIPGF11IRAK4
SCHEMBL29609358 0.86 LPL (0.53) LPLLIPGF11CA1CA2
SCHEMBL10071649 0.86 LPL (0.53) LPLLIPGF11CA1CA2
SCHEMBL15423232 0.81 LPL (0.45) LPLLIPGIRAK4
SCHEMBL12072302 0.81 LIPG (0.49) LPLLIPGF11CA1CA2
SCHEMBL15423236 0.80 LPL (0.47) LPLLIPG
SCHEMBL28217 0.79 LIPG (0.56) LPLLIPGF11IRAK4
SCHEMBL29644319 0.78 LPL (0.62) LPLLIPGF11CA1CA2

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
US-9371270-B2 Compound for organic light-emitting device and organic light-emitting device including the same SAMSUNG DISPLAY CO., LTD. (KR) 2016-06-21 US disclosed
US-9371270-B2 Compound for organic light-emitting device and organic light-emitting device including the same SAMSUNG DISPLAY CO., LTD. (KR) 2016-06-21 US disclosed