SCHEMBL2648665

SCHEMBL2648665

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 3/20 0.47
CDK2 P24941 5/20 0.46
CDK9 P50750 5/20 0.46
CCNT1 O60563 4/20 0.46
CCNA2 P20248 3/20 0.46
CCNA1 P78396 3/20 0.46
PAX8 Q06710 3/20 0.45
L3MBTL1 Q9Y468 3/20 0.45
GLRA1 P23415 2/20 0.44
CCNE1 P24864 1/20 0.42
USP2 O75604 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
FFAR1 O14842 1/20 0.42
LMNA P02545 1/20 0.41
HPGD P15428 1/20 0.41
PTGER1 P34995 1/20 0.41
PTGER4 P35408 1/20 0.41
PTGER3 P43115 1/20 0.41
PTGER2 P43116 1/20 0.41
PLA2G2A P14555 1/20 0.41

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 0.91 L3MBTL1 (0.44) FFAR4CDK2CDK9CCNT1CCNA2
SCHEMBL2649450 0.90 L3MBTL1 (0.47) FFAR4CDK2CDK9CCNT1CCNA2
SCHEMBL2647456 0.89 CCNT1 (0.44) FFAR4CDK2CDK9CCNT1CCNA2
SCHEMBL2647845 0.84 L3MBTL1 (0.43) FFAR4CDK2CDK9CCNT1CCNA2
SCHEMBL2648045 0.83 L3MBTL1 (0.40) FFAR4CDK2CDK9CCNT1CCNA2
SCHEMBL2647497 0.81 FFAR4 (0.39) FFAR4CDK2CDK9CCNT1CCNA2
SCHEMBL2647496 0.81 FFAR4 (0.39) FFAR4CDK2CDK9CCNT1CCNA2
SCHEMBL2646478 0.76 L3MBTL1 (0.47) FFAR4CDK2CDK9CCNT1CCNA2
SCHEMBL1958139 0.75 FFAR4 (0.75) FFAR4L3MBTL1FFAR1LMNAHPGD
SCHEMBL2648631 0.73 GCGR (0.57) FFAR4CDK2CDK9CCNT1CCNA2

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