SCHEMBL9649082

SCHEMBL9649082

CC(C)(c1ccc(Oc2ccc(C3=NCCO3)cc2)cc1)c1ccc(Oc2ccc(C3=NCCO3)cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ LTA4H P09960 1/20 0.52
▸ KCNH2 Q12809 1/20 0.44
▸ HRH3 Q9Y5N1 1/20 0.44
▸ ACKR3 P25106 1/20 0.36
▸ MAPT P10636 3/20 0.36
▸ HPGD P15428 3/20 0.36
▸ MEN1 O00255 3/20 0.36
▸ KMT2A Q03164 3/20 0.36
▸ TP53 P04637 2/20 0.36
▸ TSHR P16473 2/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ PPARG P37231 1/20 0.36
▸ HIF1A Q16665 1/20 0.36
▸ NPC1 O15118 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ RAB9A P51151 1/20 0.34

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
SCHEMBL11782167 0.87 LTA4H (0.62) LTA4HKCNH2HRH3ACKR3MEN1
SCHEMBL28789319 0.83 LTA4H (0.56) LTA4HKCNH2HRH3MAPTMEN1
SCHEMBL1660986 0.80 HTR1D (0.46) LTA4HKCNH2HRH3MAPTHPGD
SCHEMBL28789394 0.78 LTA4H (0.54) LTA4HKCNH2HRH3ACKR3MEN1
SCHEMBL13517962 0.77 KCNH2 (0.50) LTA4HKCNH2HRH3MAPTHPGD
SCHEMBL132013 0.76 KCNH2 (0.49) LTA4HKCNH2HRH3
SCHEMBL15976794 0.74 KCNH2 (0.50) LTA4HKCNH2HRH3ACKR3MEN1
SCHEMBL67978 0.74 NISCH (0.46) LTA4HKCNH2HRH3ALDH1A1CYP1A2
SCHEMBL1814199 0.71 KCNH2 (0.43) LTA4HKCNH2HRH3MAPTHPGD
SCHEMBL7448223 0.71 KCNH2 (0.45) LTA4HKCNH2HRH3ACKR3MEN1

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
JP-4021673-A — — None — — JP disclosed
JP-H0421673-A POLYCYCLIC IMINOETHER AND THERMOSETTING RESIN USING THE SAME TEIJIN LTD 1992-01-24 — — JP disclosed
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