SCHEMBL11524969

SCHEMBL11524969

O=C(c1ccc(OCCOc2ccc(-c3nc4ccccc4o3)cc2)cc1O)c1ccc(OCCOc2ccc(-c3nc4ccccc4o3)cc2)cc1O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHRNB4 P30926 1/20 0.54
▸ CHRNA3 P32297 1/20 0.54
▸ CHRNA7 P36544 1/20 0.54
▸ CHRNA10 Q9GZZ6 1/20 0.54
▸ CHRNA9 Q9UGM1 1/20 0.54
▸ TLR9 Q9NR96 2/20 0.53
▸ CETP P11597 1/20 0.52
▸ MAPT P10636 4/20 0.52
▸ TP53 P04637 3/20 0.52
▸ KCNH2 Q12809 1/20 0.51
▸ PDK1 Q15118 1/20 0.50
▸ AOC3 Q16853 2/20 0.49
▸ NPC1 O15118 3/20 0.48
▸ RAB9A P51151 3/20 0.48
▸ KDM4E B2RXH2 3/20 0.48
▸ ALDH1A1 P00352 3/20 0.48
▸ HPGD P15428 3/20 0.48
▸ HSD17B10 Q99714 3/20 0.48
▸ SMN1; SMN2 Q16637 2/20 0.48
▸ P2RY14 Q15391 1/20 0.48

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
SCHEMBL11520960 0.95 MAPT (0.52) CHRNB4CHRNA3CHRNA7CHRNA10CHRNA9
SCHEMBL11564518 0.89 CHRNB4 (0.47) CHRNB4CHRNA3CHRNA7CHRNA10CHRNA9
SCHEMBL11523260 0.87 AOC3 (0.53) CHRNB4CHRNA3CHRNA7CHRNA10CHRNA9
SCHEMBL11525675 0.86 MAPT (0.50) CHRNB4CHRNA3CHRNA7CHRNA10CHRNA9
SCHEMBL11524962 0.85 MAPT (0.47) CHRNB4CHRNA3CHRNA7CHRNA10CHRNA9
SCHEMBL11844094 0.84 PDK1 (0.49) MAPTTP53PDK1NPC1RAB9A
SCHEMBL11526734 0.84 MAPT (0.49) CHRNB4CHRNA3CHRNA7CHRNA10CHRNA9
SCHEMBL11524967 0.83 MAPT (0.50) MAPTTP53PDK1NPC1RAB9A
SCHEMBL11524956 0.83 MAPT (0.47) CHRNB4CHRNA3CHRNA7CHRNA10CHRNA9
SCHEMBL11525672 0.83 NPC1 (0.49) CHRNB4CHRNA3CHRNA7CHRNA10CHRNA9

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-4174321-A POLYMERIC MOLDING MATERIALS EASTMAN KODAK COMPANY (US) 1979-11-13 — — US disclosed
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