SCHEMBL20180255

SCHEMBL20180255

CC1(C)OB(c2cccc(Nc3ccc(-c4ccccc4)cc3C(=N)c3ccccc3)c2)OC1(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LIPG Q9Y5X9 6/20 0.44
LPL P06858 5/20 0.44
SIRT2 Q8IXJ6 1/20 0.38
SIRT1 Q96EB6 1/20 0.38
PDGFRB P09619 1/20 0.36
KDR P35968 1/20 0.36
AKR1C3 P42330 5/20 0.35
AKR1C2 P52895 4/20 0.35
EGFR P00533 1/20 0.34
AKR1C4 P17516 2/20 0.34
AKR1C1 Q04828 2/20 0.34
AKR1B10 O60218 1/20 0.34
AKR1B1 P15121 1/20 0.34
P4HB P07237 1/20 0.33
CDC25B P30305 2/20 0.32
KEAP1 Q14145 1/20 0.32
NFE2L2 Q16236 1/20 0.32
PRSS1 P07477 1/20 0.32
PRSS2 P07478 1/20 0.32
PRSS3 P35030 1/20 0.32

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
SCHEMBL20180251 0.95 LIPG (0.42) LIPGLPLSIRT2SIRT1PDGFRB
SCHEMBL20615350 0.94 LIPG (0.44) LIPGLPLSIRT2SIRT1PDGFRB
SCHEMBL20180263 0.88 EGFR (0.39) LIPGLPLSIRT2SIRT1PDGFRB
SCHEMBL20615277 0.81 MAPT (0.37) LIPGLPLSIRT2SIRT1PDGFRB
SCHEMBL20180148 0.80 LIPG (0.38) LIPGLPLSIRT2PDGFRBKDR
SCHEMBL20180122 0.80 EGFR (0.39) LIPGLPLSIRT2SIRT1PDGFRB
SCHEMBL20180311 0.80 LIPG (0.47) LIPGLPLSIRT2SIRT1PDGFRB
SCHEMBL20180141 0.79 LPL (0.37) LIPGLPLPDGFRBKDRAKR1C3
SCHEMBL20615352 0.77 SIRT2 (0.36) SIRT2SIRT1AKR1C3AKR1C2AKR1C4
SCHEMBL20180548 0.75 MEN1 (0.43) SIRT2SIRT1AKR1C3AKR1C2AKR1C4

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-2018093107-A1 ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENT ELEMENT COMPRISING SAME 주식회사 두산 2018-05-24 WO disclosed