SCHEMBL2647845

SCHEMBL2647845

CC(C)OC(=O)c1c(C(C)C)cc(C(C)C)c(CO)c1-c1ccc(F)cc1OCc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.43
FFAR4 Q5NUL3 3/20 0.41
CCNT1 O60563 4/20 0.40
CDK2 P24941 4/20 0.40
CDK9 P50750 4/20 0.40
CCNA2 P20248 3/20 0.40
CCNA1 P78396 3/20 0.40
PTGER1 P34995 5/20 0.39
PTGER4 P35408 3/20 0.39
PTGER3 P43115 3/20 0.39
PTGER2 P43116 3/20 0.39
USP2 O75604 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
GLRA1 P23415 1/20 0.38
CCNE1 P24864 1/20 0.37
GPBAR1 Q8TDU6 1/20 0.37
PAX8 Q06710 2/20 0.37
CYP11B1 P15538 1/20 0.37
CYP11B2 P19099 1/20 0.37
SLC6A9 P48067 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
SCHEMBL2647410 0.93 L3MBTL1 (0.44) L3MBTL1FFAR4CCNT1CDK2CDK9
SCHEMBL2648045 0.87 L3MBTL1 (0.40) L3MBTL1FFAR4CCNT1CDK2CDK9
SCHEMBL2647496 0.85 FFAR4 (0.39) L3MBTL1FFAR4CCNT1CDK2CDK9
SCHEMBL2647497 0.85 FFAR4 (0.39) L3MBTL1FFAR4CCNT1CDK2CDK9
SCHEMBL2648665 0.84 FFAR4 (0.47) L3MBTL1FFAR4CCNT1CDK2CDK9
SCHEMBL2649450 0.83 L3MBTL1 (0.47) L3MBTL1FFAR4CCNT1CDK2CDK9
SCHEMBL2647456 0.82 CCNT1 (0.44) L3MBTL1FFAR4CCNT1CDK2CDK9
SCHEMBL2646478 0.81 L3MBTL1 (0.47) L3MBTL1FFAR4CCNT1CDK2CDK9
SCHEMBL2648392 0.76 L3MBTL1 (0.40) L3MBTL1FFAR4CCNT1CDK2CDK9
SCHEMBL2648389 0.76 L3MBTL1 (0.40) L3MBTL1FFAR4CCNT1CDK2CDK9

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