SCHEMBL9768885

SCHEMBL9768885

CN(CCCCS(=O)(=O)O)c1cc[c]cc1

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 1/20 0.33
▸ LTA4H P09960 1/20 0.32
▸ THRA P10827 1/20 0.31
▸ THRB P10828 1/20 0.31
▸ APP P05067 1/20 0.31
▸ CA12 O43570 1/20 0.30
▸ CA2 P00918 1/20 0.30
▸ CA9 Q16790 1/20 0.30
▸ TRPV1 Q8NER1 1/20 0.30

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
SCHEMBL10336428 0.88 LTA4H (0.34) LTA4HCA12CA2CA9
SCHEMBL13424297 0.82 ALDH1A1 (0.42) MAPTCA12CA2CA9
SCHEMBL9728473 0.81 CNR2 (0.40) MAPTTHRB
SCHEMBL6310447 0.78 CA12 (0.47) LTA4HCA12CA2CA9
SCHEMBL12298626 0.77 RAB9A (0.42) MAPTCA12CA2CA9
SCHEMBL8500296 0.75 S1PR1 (0.51) MAPTTHRATHRBCA2
SCHEMBL7770559 0.74 MAPT (0.45) MAPTTRPV1
SCHEMBL7863954 0.74 MAPT (0.45) MAPTTRPV1
SCHEMBL3452064 0.74 MAPT (0.45) MAPTTRPV1
SCHEMBL7771812 0.74 MAPT (0.45) MAPTTRPV1

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-5071729-A Discoloration inhibitor releasing compound FUJI PHOTO FILM CO., LTD. (JP) 1991-12-10 — — US disclosed
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