SCHEMBL2647738

SCHEMBL2647738

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

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 4/20 0.39
NR1H3 Q13133 4/20 0.39
RXRA P19793 1/20 0.39
GABRA1 P14867 1/20 0.38
GABRB2 P47870 1/20 0.38
EGFR P00533 1/20 0.37
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
HSPA5 P11021 1/20 0.36
IGF1R P08069 1/20 0.35
SERPINE1 P05121 1/20 0.35
CRHBP P24387 1/20 0.35
CRHR2 Q13324 1/20 0.35

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
SCHEMBL2655594 0.93 GLRA3 (0.40) NR1H2NR1H3RXRAGABRA1GABRB2
SCHEMBL18047574 0.79 FFAR1 (0.45) NR1H2NR1H3EGFRCYP2C9CYP2C19
SCHEMBL2648416 0.79 CA12 (0.47) NR1H2NR1H3GABRA1GABRB2
SCHEMBL27274620 0.73 GRM6 (0.37) NR1H2NR1H3RXRACYP2C9CYP2C19
SCHEMBL1174843 0.73 ESR1 (0.46) GABRA1EGFRSERPINE1CRHBPCRHR2
SCHEMBL2655601 0.71 PTPN11 (0.46) GABRA1GABRB2
SCHEMBL2221008 0.71 GRM6 (0.36) NR1H2NR1H3RXRACYP2C9CYP2C19
SCHEMBL13414067 0.71 NR1H2 (0.55) NR1H2NR1H3EGFRCYP2C9CYP2C19
SCHEMBL31617762 0.71 NR1H2 (0.40) NR1H2NR1H3RXRAEGFRCRHBP
SCHEMBL27721570 0.70 NR1H2 (0.45) NR1H2NR1H3RXRAEGFRCRHBP

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