SCHEMBL2647537

SCHEMBL2647537

CC(C)=Cc1c(C)nc(C)c(CO)c1-c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GCGR P47871 6/20 0.46
SMN1; SMN2 Q16637 2/20 0.40
KDM4E B2RXH2 4/20 0.38
GAA P10253 2/20 0.38
HPGD P15428 2/20 0.38
NPSR1 Q6W5P4 2/20 0.38
ALDH1A1 P00352 2/20 0.38
NPC1 O15118 1/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
RAB9A P51151 1/20 0.38
PDE4B Q07343 1/20 0.37
PDE4D Q08499 1/20 0.37
GLA P06280 1/20 0.34
POLB P06746 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
HTT P42858 1/20 0.33
HSD17B10 Q99714 1/20 0.33

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
SCHEMBL2646745 0.78 GCGR (0.43) GCGRSMN1; SMN2KDM4EGAAHPGD
SCHEMBL2646746 0.78 GCGR (0.43) GCGRSMN1; SMN2KDM4EGAAHPGD
SCHEMBL2647949 0.77 GCGR (0.58) GCGRKDM4EPDE4BPDE4D
SCHEMBL2647654 0.76 GCGR (0.77) GCGR
SCHEMBL5501886 0.72 SMN1; SMN2 (0.70) GCGRSMN1; SMN2KDM4EGAANPSR1
SCHEMBL6955413 0.72 GCGR (0.49) GCGRSMN1; SMN2PDE4BPDE4D
SCHEMBL2647727 0.72 GCGR (0.70) GCGR
SCHEMBL8949698 0.66 GCGR (0.56) GCGRNPC1RAB9A
SCHEMBL10378089 0.65 DHFR (0.44) GCGRSMN1; SMN2KDM4EGAAHPGD
SCHEMBL8549925 0.65 SMN1; SMN2 (0.74) SMN1; SMN2KDM4EGAAHPGDNPSR1

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 5 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
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
WO-1998004528-A2 SUBSTITUTED PYRIDINES AND BIPHENYLS AS ANTI-HYPERCHOLESTERINEMIC, ANTI-HYPERLIPOPROTEINEMIC AND ANTI-HYPERGLYCEMIC AGENTS BAYER CORPORATION (US) 1998-02-05 WO disclosed