SCHEMBL9999706

SCHEMBL9999706

Cc1ccc(C2(c3ccc(C)c(C)c3)c3cc(B4OC(C)(C)C(C)(C)O4)ccc3-c3ccc(B4OC(C)(C)C(C)(C)O4)cc32)cc1C

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LPL P06858 13/20 0.38
LIPG Q9Y5X9 13/20 0.38
ESR1 P03372 1/20 0.38
ESR2 Q92731 1/20 0.38
CSF1R P07333 1/20 0.34
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
CA9 Q16790 2/20 0.33
IRAK4 Q9NWZ3 1/20 0.33
CYP2C19 P33261 1/20 0.33
CA12 O43570 1/20 0.33
CA3 P07451 1/20 0.33
CA4 P22748 1/20 0.33
CA6 P23280 1/20 0.33
CA5A P35218 1/20 0.33
CA7 P43166 1/20 0.33
CA14 Q9ULX7 1/20 0.33
CA5B Q9Y2D0 1/20 0.33
F11 P03951 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
SCHEMBL12374409 0.87 LPL (0.39) LPLLIPGCSF1RCA1CA2
SCHEMBL12681698 0.84 LIPG (0.47) LPLLIPGESR2CA1CA2
SCHEMBL29506426 0.84 LIPG (0.47) LPLLIPGESR2CA1CA2
SCHEMBL14330068 0.84 LPL (0.39) LPLLIPGCSF1RCA1CA2
SCHEMBL18722481 0.83 LIPG (0.40) LPLLIPGCSF1RIRAK4
SCHEMBL16133095 0.83 BACE1 (0.37) LPLLIPGCA1CA2CA9
SCHEMBL15937417 0.82 LIPG (0.51) LPLLIPGCA1CA2CA9
SCHEMBL18723339 0.82 LIPG (0.45) LPLLIPGESR1ESR2CSF1R
SCHEMBL428648 0.81 LPL (0.41) LPLLIPGESR1ESR2CSF1R
SCHEMBL14217299 0.81 LPL (0.50) LPLLIPGESR2CSF1RCA1

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