SCHEMBL11503585

SCHEMBL11503585

O=c1oc2ccc(CCO)cc2cc1-c1nnn[nH]1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 4/20 0.40
▸ CA2 P00918 4/20 0.40
▸ CA3 P07451 4/20 0.40
▸ CA6 P23280 4/20 0.40
▸ CA7 P43166 4/20 0.40
▸ CA9 Q16790 4/20 0.40
▸ CA14 Q9ULX7 4/20 0.40
▸ CA5B Q9Y2D0 4/20 0.40
▸ CA4 P22748 3/20 0.40
▸ CA1 P00915 1/20 0.40
▸ MAPT P10636 3/20 0.38
▸ TP53 P04637 2/20 0.38
▸ JMJD6 Q6NYC1 1/20 0.37
▸ CA5A P35218 2/20 0.37
▸ MAOB P27338 5/20 0.36
▸ ADORA3 P0DMS8 1/20 0.36
▸ MAOA P21397 1/20 0.36
▸ PTGS1 P23219 1/20 0.36
▸ GPR35 Q9HC97 1/20 0.36
▸ TDP1 Q9NUW8 2/20 0.35

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
SCHEMBL11465519 0.85 MAPT (0.42) CA12CA2CA3CA6CA7
SCHEMBL11548527 0.84 MAPT (0.41) CA12CA2CA3CA6CA7
SCHEMBL11553588 0.81 PTGS1 (0.56) CA12CA2CA9CA1MAPT
SCHEMBL11018706 0.77 GPR35 (0.58) MAPTTP53MAOBGPR35NPC1
SCHEMBL11548964 0.76 MAOB (0.60) CA12CA2CA3CA6CA7
SCHEMBL11481868 0.76 TP53 (0.42) MAPTTP53JMJD6MAOBADORA3
SCHEMBL11503586 0.75 ALOX15 (0.34) CA12CA7CA4MAPTTP53
SCHEMBL10688222 0.75 MAOB (0.49) MAPTTP53MAOBNPC1KDM4E
SCHEMBL10680122 0.73 PDE3B (0.43) TP53MAOBMAOAGAPDH
SCHEMBL28577620 0.72 GPR35 (0.62) MAPTMAOBGPR35POLBKDM4E

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-54059279-A — — None — — JP disclosed
JP-S5459279-A NOVEL CHROMONE DERIVATIVE AND ITS PREPARATION TAKEDA CHEM IND LTD 1979-05-12 — — JP disclosed
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