SCHEMBL7026643

SCHEMBL7026643

C=CC(=O)OCCc1ccc(O)cc1.C=CC(=O)OCCc1cccc(O)c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 4/20 0.66
CA4 P22748 4/20 0.66
CA6 P23280 4/20 0.66
CA5A P35218 4/20 0.66
CA7 P43166 4/20 0.66
CA9 Q16790 4/20 0.66
CA14 Q9ULX7 4/20 0.66
CA5B Q9Y2D0 4/20 0.66
CA1 P00915 3/20 0.66
AKR1B10 O60218 7/20 0.56
AKR1B1 P15121 7/20 0.56
MET P08581 2/20 0.52
OPRM1 P35372 2/20 0.52
OPRD1 P41143 2/20 0.52
OPRK1 P41145 2/20 0.52
TYR P14679 2/20 0.52
MAOB P27338 1/20 0.52
ALOX5 P09917 1/20 0.51
ESR1 P03372 1/20 0.48
ESR2 Q92731 1/20 0.48

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
SCHEMBL31744993 0.94 CA12 (0.64) CA12CA4CA6CA5ACA7
SCHEMBL1119161 0.94 CA12 (0.64) CA12CA4CA6CA5ACA7
SCHEMBL969345 0.88 MET (0.64) CA12CA4CA6CA5ACA7
SCHEMBL27465254 0.86 AKR1B10 (0.60) CA12CA4CA6CA5ACA7
SCHEMBL19456746 0.85 THRB (0.56) CA12CA4CA6CA5ACA7
SCHEMBL9806249 0.82 TSHR (0.59) CA12CA4CA6CA5ACA7
SCHEMBL17693814 0.81 MET (0.56) CA12CA4CA6CA5ACA7
SCHEMBL19738396 0.81 THRB (0.51) CA12CA4CA6CA5ACA7
SCHEMBL1898363 0.81 HCAR2 (0.48) CA12CA4CA6CA5ACA7
SCHEMBL40718 0.80 THRB (0.67) AKR1B10AKR1B1MAOBALOX5ESR1

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-1318027-A2 Planographic printing plate precursor FUJI PHOTO FILM CO., LTD. (JP) 2003-06-11 EP disclosed