SCHEMBL14381820

SCHEMBL14381820

CC(O)c1ccc(O)c(C(=O)O)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.61
▸ ALDH1A1 P00352 3/20 0.61
▸ HPGD P15428 3/20 0.61
▸ HSD17B10 Q99714 3/20 0.61
▸ TDP1 Q9NUW8 3/20 0.61
▸ MEN1 O00255 3/20 0.61
▸ KMT2A Q03164 3/20 0.61
▸ CYP2C9 P11712 2/20 0.61
▸ CYP2C19 P33261 2/20 0.61
▸ GRM1 Q13255 1/20 0.61
▸ CSNK2A1 P68400 1/20 0.55
▸ CA1 P00915 2/20 0.53
▸ CA2 P00918 2/20 0.53
▸ PTGS2 P35354 2/20 0.53
▸ CA12 O43570 1/20 0.53
▸ ALOX5 P09917 1/20 0.53
▸ CA7 P43166 1/20 0.53
▸ CA9 Q16790 1/20 0.53
▸ CA14 Q9ULX7 1/20 0.53
▸ MCL1 Q07820 4/20 0.50

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
SCHEMBL2833452 0.86 KDM4E (0.62) KDM4EALDH1A1HPGDHSD17B10TDP1
SCHEMBL1649282 0.86 ALDH1A1 (0.62) KDM4EALDH1A1HPGDHSD17B10TDP1
SCHEMBL9853831 0.84 HSD17B10 (0.58) KDM4EALDH1A1HPGDHSD17B10TDP1
SCHEMBL18964182 0.83 KDM4E (0.50) KDM4EALDH1A1HPGDHSD17B10TDP1
SCHEMBL9755165 0.82 KDM4E (0.67) KDM4EALDH1A1HPGDHSD17B10TDP1
SCHEMBL11233617 0.81 KDM4E (0.66) KDM4EALDH1A1HPGDHSD17B10TDP1
SCHEMBL11217868 0.81 KDM4E (0.66) KDM4EALDH1A1HPGDHSD17B10TDP1
SCHEMBL12208227 0.80 CA12 (0.61) CA1CA2PTGS2CA12CA7
SCHEMBL8428483 0.80 CA1 (0.58) KDM4EALDH1A1HPGDHSD17B10TDP1
SCHEMBL658651 0.80 KDM4E (0.56) KDM4EALDH1A1HPGDHSD17B10TDP1

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
EP-1585541-B1 PHARMACEUTICAL COMPOSITIONS COMPRISING INSULIN AND LEGENDS OF INSULIN HEXAMER NOVO NORDISK AS (DK) 2007-11-14 — — EP disclosed
EP-1429763-B1 NOVEL LIGANDS FOR THE HisB10 Zn2+ SITES OF THE R-STATE INSULIN HEXAMER NOVO NORDISK AS (DK) 2007-05-30 — — EP disclosed
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