SCHEMBL2648686

SCHEMBL2648686

CC(C)c1cc(C(C)C)c(C(C)O)c(-c2ccc(Cl)cc2)c1CSc1ccc(F)cc1

nearest known ligand 0.61

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GCGR P47871 8/20 0.61
MAPT P10636 5/20 0.35
TDP1 Q9NUW8 3/20 0.35
HPGD P15428 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
MEN1 O00255 4/20 0.34
KMT2A Q03164 4/20 0.34
POLB P06746 1/20 0.34
ALDH1A1 P00352 2/20 0.33
NPSR1 Q6W5P4 1/20 0.33
KCNH2 Q12809 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
SCHEMBL2647443 0.94 GCGR (0.67) GCGR
SCHEMBL2665676 0.90 GCGR (0.62) GCGR
SCHEMBL2648956 0.90 GCGR (0.47) GCGRMAPTTDP1HPGDL3MBTL1
SCHEMBL2649721 0.90 GCGR (0.62) GCGRMAPTTDP1MEN1KMT2A
SCHEMBL2647652 0.90 GCGR (0.62) GCGRMAPTTDP1MEN1KMT2A
SCHEMBL2647610 0.89 GCGR (0.60) GCGRMAPTTDP1L3MBTL1ALDH1A1
SCHEMBL2648230 0.87 GCGR (0.44) GCGRMAPTTDP1HPGDL3MBTL1
SCHEMBL2663067 0.87 GCGR (0.58) GCGRMAPTTDP1POLBALDH1A1
SCHEMBL2663070 0.87 GCGR (0.58) GCGR
SCHEMBL2663071 0.84 GCGR (0.55) GCGR

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