SCHEMBL2647669

SCHEMBL2647669

CCc1cc(CC)c(C(=O)O)c(OS(=O)(=O)C(F)(F)F)c1C(=O)O

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 5/20 0.35
CXCR2 P25025 2/20 0.34
HSD11B1 P28845 1/20 0.34
HTR1D P28221 5/20 0.34
HTR1A P08908 4/20 0.34
HTR1B P28222 4/20 0.34
CXCR1 P25024 1/20 0.33
PTGS1 P23219 1/20 0.33
PTGS2 P35354 1/20 0.33
PTPN1 P18031 1/20 0.32
PTPN11 Q06124 1/20 0.32
DRD2 P14416 1/20 0.32
DRD3 P35462 1/20 0.32

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
SCHEMBL3207214 0.76 EPHX2 (0.34) CXCR2HSD11B1HTR1DHTR1AHTR1B
SCHEMBL5640607 0.75 ALDH1A1 (0.42) HSD11B1
SCHEMBL2649641 0.75 HSD11B1 (0.32) HSD11B1
SCHEMBL28938014 0.74 CLCN2 (0.42) HSD11B1HTR1DDRD2DRD3
SCHEMBL2646567 0.73 HSD17B10 (0.46) METAP2PTGS2PTPN1PTPN11
SCHEMBL7571254 0.73 GABRA1 (0.42) HSD11B1HTR1DHTR1AHTR1BDRD2
SCHEMBL1811629 0.72 PTGS1 (0.41) METAP2CXCR2HSD11B1PTGS1PTGS2
SCHEMBL3829429 0.71 CYP3A4 (0.41) CXCR2HSD11B1CXCR1PTGS1PTGS2
SCHEMBL27830796 0.71 ALDH1A1 (0.35) CXCR2HSD11B1CXCR1
SCHEMBL6564952 0.70 TPMT (0.39) CXCR2HSD11B1CXCR1

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