SCHEMBL13429511

SCHEMBL13429511

CCCCc1ccc(N2c3ccc(Br)cc3Oc3cc(B4OC(C)(C)C(C)(C)O4)ccc32)cc1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LPL P06858 6/20 0.51
LIPG Q9Y5X9 6/20 0.51
NPC1 O15118 1/20 0.33
GAA P10253 1/20 0.33
NFKB1 P19838 1/20 0.33
RAB9A P51151 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
FAAH O00519 1/20 0.33
MGLL Q99685 1/20 0.33
F11 P03951 2/20 0.32
F2 P00734 1/20 0.32
PRSS1 P07477 1/20 0.32
PRSS2 P07478 1/20 0.32
PRSS3 P35030 1/20 0.32
SKP2 Q13309 1/20 0.30
ESR2 Q92731 1/20 0.30

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
SCHEMBL13429515 0.96 LPL (0.57) LPLLIPGFAAHMGLLF11
SCHEMBL12388018 0.94 LIPG (0.58) LPLLIPGFAAHMGLLF11
SCHEMBL812222 0.87 MGLL (0.41) LPLLIPGNPC1GAANFKB1
SCHEMBL10008465 0.84 LPL (0.47) LPLLIPGFAAHMGLLF11
SCHEMBL16327687 0.82 LIPG (0.42) LPLLIPG
SCHEMBL13429568 0.81 NPC1 (0.38) NPC1GAANFKB1RAB9ANFKB2
SCHEMBL12978627 0.81 AHR (0.39) NPC1GAANFKB1RAB9ANFKB2
SCHEMBL13147840 0.80 NPC1 (0.37) NPC1GAANFKB1RAB9ANFKB2
SCHEMBL3359070 0.79 FAAH (0.46) LPLLIPGFAAHMGLL
SCHEMBL10008304 0.78 NPC1 (0.42) NPC1GAANFKB1RAB9ANFKB2

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
US-20100069603-A1 METHOD FOR PRODUCING STRUCTURE WHEREIN AROMATIC POLYMER IS BONDED TO BASE, STRUCTURE HAVING AROMATIC POLYMER CHAIN BONDED TO CONDUCTIVE BASE, AND ELECTRONIC DEVICE COMPRISING THE STRUCTURE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-03-18 US disclosed