SCHEMBL822588

SCHEMBL822588

CCOC(=O)c1cc(C2(c3ccc(O)c(C(C)=O)c3)c3cc(Br)ccc3-c3ccc(Br)cc32)ccc1O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 3/20 0.47
▸ CA1 P00915 3/20 0.47
▸ CA2 P00918 3/20 0.47
▸ CA7 P43166 3/20 0.47
▸ CA9 Q16790 3/20 0.47
▸ CA14 Q9ULX7 3/20 0.47
▸ LMNA P02545 2/20 0.46
▸ MAOA P21397 2/20 0.40
▸ MAOB P27338 2/20 0.40
▸ KMT2A Q03164 2/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ GABRA1 P14867 1/20 0.38
▸ GABRB1 P18505 1/20 0.38
▸ GABRA3 P34903 1/20 0.38
▸ GABRB2 P47870 1/20 0.38
▸ EGFR P00533 2/20 0.38
▸ KDM4E B2RXH2 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ ALOX5 P09917 2/20 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
SCHEMBL812488 0.95 CA12 (0.51) CA12CA1CA2CA7CA9
SCHEMBL10044166 0.87 CA12 (0.43) CA12CA1CA2CA7CA9
SCHEMBL9999677 0.85 CA12 (0.50) CA12CA1CA2CA7CA9
SCHEMBL15430908 0.81 CA12 (0.45) CA12CA1CA2CA7CA9
SCHEMBL16330271 0.80 CA12 (0.41) CA12CA1CA2CA7CA9
SCHEMBL822683 0.80 PTPN11 (0.38) LMNAKMT2AALDH1A1SMN1; SMN2KDM4E
SCHEMBL13429588 0.80 CA12 (0.43) CA12CA1CA2CA7CA9
SCHEMBL2313707 0.78 CA12 (0.70) CA12CA1CA2CA7CA9
SCHEMBL31083917 0.78 CA12 (0.70) CA12CA1CA2CA7CA9
SCHEMBL13429819 0.77 CA12 (0.43) CA12CA1CA2CA7CA9

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-20120010359-A1 SALICYLATE SUBSTITUTED CONJUGATED POLYMERS AND DEVICES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-01-12 — — US disclosed
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