SCHEMBL2646567

SCHEMBL2646567

CCc1cc(CC)c(C(=O)O)c(OC)c1C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.46
ALDH1A1 P00352 2/20 0.46
KDM4E B2RXH2 2/20 0.46
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
CA14 Q9ULX7 1/20 0.41
METAP2 P50579 1/20 0.40
TPMT P51580 4/20 0.39
POLB P06746 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
PPARA Q07869 1/20 0.38
PTPN1 P18031 1/20 0.38
PTPN11 Q06124 1/20 0.38
PTGS2 P35354 1/20 0.38
MAPK1 P28482 1/20 0.37
MEN1 O00255 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
SCHEMBL11030727 0.78 KDM4E (0.50) HSD17B10ALDH1A1KDM4EMEN1KMT2A
SCHEMBL4155579 0.77 DRD2 (0.47) HSD17B10ALDH1A1KDM4ECA12CA1
SCHEMBL9549980 0.77 TPMT (0.46) HSD17B10ALDH1A1KDM4ECA12CA1
SCHEMBL6357203 0.77 TDP1 (0.46) HSD17B10ALDH1A1KDM4ECA12CA1
SCHEMBL13888143 0.77 TDP1 (0.50) HSD17B10ALDH1A1KDM4ECA12CA1
SCHEMBL2267207 0.77 HSD17B10 (0.54) HSD17B10ALDH1A1KDM4ECA12CA1
SCHEMBL31131475 0.77 HSD17B10 (0.54) HSD17B10ALDH1A1KDM4ECA12CA1
SCHEMBL9700103 0.76 TPMT (0.47) ALDH1A1KDM4ECA1CA2TPMT
SCHEMBL20018063 0.76 ALDH1A1 (0.71) HSD17B10ALDH1A1KDM4ECA12CA1
SCHEMBL5586775 0.76 PTGS2 (0.43) HSD17B10ALDH1A1KDM4ECA12CA1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6218431-B1 GLUCAGON RECEPTOR ANTAGONISTS FOR THERAPY OF DIABETES AND CONDITIONS ASSOCIATED WITH DIABETES BAYER CORPORATION 2001-04-17 US disclosed
EP-0934274-A1 SUBSTITUTED PYRIDINES AND BIPHENYLS AS ANTI-HYPERCHOLESTERINEMIC, ANTI-HYPERLIPOPROTEINEMIC AND ANTI-HYPERGLYCEMIC AGENTS Bayer Corporation (US) 1999-08-11 EP disclosed
WO-1998004528-A2 SUBSTITUTED PYRIDINES AND BIPHENYLS AS ANTI-HYPERCHOLESTERINEMIC, ANTI-HYPERLIPOPROTEINEMIC AND ANTI-HYPERGLYCEMIC AGENTS BAYER CORPORATION (US) 1998-02-05 WO disclosed