SCHEMBL9874879

SCHEMBL9874879

Cc1ccc2c(c1)OC(=O)OC(=O)O2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 4/20 0.40
MAOA P21397 2/20 0.40
GAA P10253 1/20 0.40
ALDH1A1 P00352 2/20 0.39
MMP12 P39900 1/20 0.39
ELANE P08246 1/20 0.39
KDM4E B2RXH2 4/20 0.39
NOS3 P29474 1/20 0.38
NOS1 P29475 1/20 0.38
NOS2 P35228 1/20 0.38
ATM Q13315 2/20 0.38
HTT P42858 1/20 0.38
CYP19A1 P11511 1/20 0.37
ALDH2 P05091 1/20 0.37
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA4 P22748 1/20 0.36
CA7 P43166 1/20 0.36
CA9 Q16790 1/20 0.36
RAD52 P43351 1/20 0.36

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
SCHEMBL1611847 0.83 AHR (0.48) GAAALDH1A1
SCHEMBL15845332 0.83
SCHEMBL1609847 0.83 AHR (0.48) GAAALDH1A1
SCHEMBL4643593 0.80 ELANE (0.52) MAOBMAOAGAAALDH1A1MMP12
SCHEMBL26459489 0.78 CYP1A2 (0.39) GAAALDH1A1MMP12
SCHEMBL13203015 0.76 AHR (0.54) MAOBMAOAGAAALDH1A1ALDH2
SCHEMBL2456367 0.76 PTPRC (0.38) ATMHTTCA2CA9
SCHEMBL19966838 0.75 GAA (0.50) MAOBMAOAGAAALDH1A1MMP12
SCHEMBL5711966 0.73 MAPT (0.42) GAAALDH1A1KDM4EHTTCA1
SCHEMBL7187760 0.73 CYP3A4 (0.45) MAOBMAOAALDH1A1KDM4EHTT

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
EP-0407832-A2 Reinforced coloured thermoplastic mouldings based on polyamides and polyphenyleneethers BASF Aktiengesellschaft (DE) 1991-01-16 EP disclosed