SCHEMBL6432329

SCHEMBL6432329

O=C(O)c1ccc(C(=O)O)c2c1CC1CC1C2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.44
ALDH1A1 P00352 5/20 0.39
ALOX15 P16050 1/20 0.39
GAA P10253 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
SELL P14151 1/20 0.37
SELP P16109 1/20 0.37
MAPK1 P28482 1/20 0.36
TSHR P16473 2/20 0.35
CA12 O43570 2/20 0.35
CA1 P00915 2/20 0.35
CA2 P00918 2/20 0.35
CA7 P43166 2/20 0.35
CA9 Q16790 2/20 0.35
CA14 Q9ULX7 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
CASP1 P29466 1/20 0.34
HCAR2 Q8TDS4 2/20 0.34
SLC6A4 P31645 1/20 0.34
MAPT P10636 3/20 0.33

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
SCHEMBL667757 0.83 CYP1A2 (0.41) CYP1A2ALDH1A1ALOX15GAASELL
SCHEMBL4916533 0.77 CYP1A2 (0.44) CYP1A2ALDH1A1ALOX15SELLSELP
SCHEMBL370115 0.77 CYP1A2 (0.44) CYP1A2ALDH1A1ALOX15GAASELL
Ethylene Glycol SCHEMBL17985187 0.77 ACMSD (0.37) CYP1A2ALDH1A1GAAKDM4EACMSD
SCHEMBL29769278 0.72 CYP1A2 (0.63) CYP1A2ALDH1A1ALOX15GAASELL
SCHEMBL21688 0.72 CYP1A2 (0.63) CYP1A2ALDH1A1ALOX15GAASELL
Ethylene Glycol SCHEMBL3016260 0.71 CYP1A2 (0.38) CYP1A2ALDH1A1ALOX15SELLSELP
Hydrochloric Acid SCHEMBL607308 0.70 CYP1A2 (0.60) CYP1A2ALDH1A1ALOX15GAASELL
SCHEMBL5499018 0.70 KMT2A (0.44) CYP1A2ALDH1A1ALOX15GAAL3MBTL1
SCHEMBL87519 0.69 CYP1A2 (0.57) CYP1A2ALDH1A1ALOX15GAASELL

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0814531-B1 Secondary battery CANON KK (JP) 2005-07-20 EP disclosed
US-5714277-A MIXING FLAME RETARDANT MATERIAL INTO ELECTROLYTE CANON KABUSHIKI KAISHA (JP) 1998-02-03 US disclosed
EP-0814531-A2 Secondary battery CANON KABUSHIKI KAISHA (JP) 1997-12-29 EP disclosed
EP-0631339-A2 Secondary battery CANON KABUSHIKI KAISHA (JP) 1994-12-28 EP disclosed