SCHEMBL7635750

SCHEMBL7635750

NCCCOc1ccc(Cn2cccn2)cc1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.52
MAPT P10636 1/20 0.52
NOS3 P29474 1/20 0.48
NOS1 P29475 1/20 0.48
CA12 O43570 1/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
CA9 Q16790 1/20 0.48
HDAC1 Q13547 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
LTA4H P09960 1/20 0.41
TDP1 Q9NUW8 1/20 0.40
HTT P42858 1/20 0.40
TSHR P16473 1/20 0.39

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
SCHEMBL7627624 0.93 GAA (0.54) GAAMAPTNOS3NOS1CA12
SCHEMBL7626009 0.87 MAPT (0.54) GAAMAPTNOS3NOS1CA12
SCHEMBL7627612 0.85 MAPT (0.52) GAAMAPTNOS3NOS1CA12
SCHEMBL27377737 0.84 MAPT (0.54) GAAMAPTNOS3NOS1CA12
SCHEMBL7629829 0.84 MAPT (0.54) GAAMAPTNOS3NOS1CA12
SCHEMBL7636770 0.84 MAPT (0.54) GAAMAPTNOS3NOS1CA12
SCHEMBL8382687 0.82 MAPT (0.52) GAAMAPTNOS3NOS1CA12
SCHEMBL7635744 0.81 HDAC1 (0.51) GAAMAPTNOS3NOS1CA12
SCHEMBL8383503 0.79 MAPT (0.49) GAAMAPTNOS3NOS1CA12
SCHEMBL27615690 0.79 CA12 (0.48) GAAMAPTNOS3NOS1CA12

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
EP-0754683-B1 ETHER COMPOUND, USE THEREOF, AND INTERMEDIATE FOR PRODUCING THE COMPOUND SUMITOMO CHEMICAL CO (JP) 2002-08-14 EP disclosed
EP-0754683-A1 ETHER COMPOUND, USE THEREOF, AND INTERMEDIATE FOR PRODUCING THE COMPOUND SUMITOMO CHEMICAL COMPANY LIMITED (JP) 1997-01-22 EP disclosed