SCHEMBL2648045

SCHEMBL2648045

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.40
CDK2 P24941 5/20 0.40
CDK9 P50750 5/20 0.40
CCNT1 O60563 4/20 0.40
CCNE1 P24864 1/20 0.40
AR P10275 2/20 0.39
CCNA2 P20248 3/20 0.39
CCNA1 P78396 3/20 0.39
PTGER1 P34995 4/20 0.38
PTGER4 P35408 3/20 0.38
PTGER3 P43115 3/20 0.38
PTGER2 P43116 3/20 0.38
FFAR4 Q5NUL3 1/20 0.38
USP2 O75604 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
GLRA1 P23415 1/20 0.36
GPBAR1 Q8TDU6 1/20 0.36
PAX8 Q06710 1/20 0.36
PPARG P37231 1/20 0.36
CYP11B1 P15538 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 0.92 L3MBTL1 (0.44) L3MBTL1CDK2CDK9CCNT1CCNE1
SCHEMBL2647496 0.91 FFAR4 (0.39) L3MBTL1CDK2CDK9CCNT1CCNE1
SCHEMBL2647497 0.91 FFAR4 (0.39) L3MBTL1CDK2CDK9CCNT1CCNE1
SCHEMBL2647845 0.87 L3MBTL1 (0.43) L3MBTL1CDK2CDK9CCNT1CCNE1
SCHEMBL2648665 0.83 FFAR4 (0.47) L3MBTL1CDK2CDK9CCNT1CCNE1
SCHEMBL2649450 0.81 L3MBTL1 (0.47) L3MBTL1CDK2CDK9CCNT1CCNA2
SCHEMBL2648891 0.80 L3MBTL1 (0.46) L3MBTL1CDK2CDK9CCNT1CCNE1
SCHEMBL2647456 0.80 CCNT1 (0.44) L3MBTL1CDK2CDK9CCNT1CCNE1
SCHEMBL8855039 0.72 AR (0.43) L3MBTL1ARGLRA1ALDH1A1
SCHEMBL2648392 0.71 L3MBTL1 (0.40) L3MBTL1CDK2CDK9CCNT1CCNE1

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-6218431-B1 GLUCAGON RECEPTOR ANTAGONISTS FOR THERAPY OF DIABETES AND CONDITIONS ASSOCIATED WITH DIABETES BAYER CORPORATION 2001-04-17 US disclosed