SCHEMBL14124058

SCHEMBL14124058

O=C(O)c1cc(C(c2cccc(O)c2)c2ccc(O)c(C(=O)O)c2)ccc1O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 4/20 0.56
▸ CA2 P00918 4/20 0.56
▸ CA12 O43570 3/20 0.56
▸ CA9 Q16790 3/20 0.56
▸ PTGS2 P35354 2/20 0.56
▸ CA7 P43166 2/20 0.56
▸ CA14 Q9ULX7 2/20 0.56
▸ ALOX5 P09917 1/20 0.56
▸ ALDH1A1 P00352 5/20 0.54
▸ KMT2A Q03164 5/20 0.54
▸ TDP1 Q9NUW8 4/20 0.54
▸ MEN1 O00255 4/20 0.54
▸ KDM4E B2RXH2 3/20 0.54
▸ HPGD P15428 3/20 0.54
▸ HSD17B10 Q99714 3/20 0.54
▸ CYP2C9 P11712 2/20 0.54
▸ CYP2C19 P33261 2/20 0.54
▸ GRM1 Q13255 1/20 0.54
▸ ACMSD Q8TDX5 2/20 0.47
▸ HNF4A P41235 4/20 0.46

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
SCHEMBL9654462 0.88 ALDH1A1 (0.59) CA1CA2CA12CA9PTGS2
SCHEMBL9314378 0.88 ALDH1A1 (0.59) CA1CA2CA12CA9PTGS2
SCHEMBL9755165 0.88 KDM4E (0.67) CA1CA2CA12CA9PTGS2
SCHEMBL11755689 0.87 CA1 (0.53) CA1CA2CA12CA9PTGS2
SCHEMBL11489364 0.86 ALDH1A1 (0.57) CA1CA2CA12CA9PTGS2
SCHEMBL28546016 0.84 CA12 (0.50) CA1CA2CA12CA9PTGS2
SCHEMBL11481523 0.78 KDM4E (0.56) CA1CA2CA12CA9PTGS2
SCHEMBL1758130 0.78 LMNA (0.52) CA1CA2CA12CA9CA7
SCHEMBL9616897 0.78 LMNA (0.58) CA1CA2CA12CA9CA7
SCHEMBL25017789 0.77 KDM4E (0.59) CA1CA2CA12CA9PTGS2

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
US-7402380-B2 Photothermographic material FUJIFILM CORPORATION (JP) 2008-07-22 — — US disclosed
US-7402380-B2 Photothermographic material FUJIFILM CORPORATION (JP) 2008-07-22 — — US disclosed
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