SCHEMBL2647665

SCHEMBL2647665

C=CCc1c(C)cc(C)c(C(C)=O)c1-c1ccc(F)cc1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.36
ALDH1A1 P00352 2/20 0.36
MAPT P10636 1/20 0.36
CYP2C9 P11712 1/20 0.36
HPGD P15428 1/20 0.36
CYP2C19 P33261 1/20 0.36
ABCB1 P08183 2/20 0.34
GCGR P47871 2/20 0.34
KMT2A Q03164 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
MEN1 O00255 1/20 0.33
RXRA P19793 1/20 0.33
PDE4B Q07343 2/20 0.32
PTGS2 P35354 2/20 0.32
PDE4D Q08499 1/20 0.32
AR P10275 1/20 0.32
NPC1 O15118 1/20 0.31

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
SCHEMBL2649597 0.81 GCGR (0.43) GAAALDH1A1ABCB1GCGRL3MBTL1
SCHEMBL2647566 0.76 GCGR (0.47) GCGR
SCHEMBL2649487 0.74 KDM4E (0.39) GAASMN1; SMN2ALDH1A1MAPTHPGD
SCHEMBL2648381 0.64 GCGR (0.51) GAAALDH1A1GCGR
SCHEMBL25620947 0.62 SLC6A4 (0.47) GAASMN1; SMN2MAPTABCB1KMT2A
SCHEMBL13978665 0.62 THRB (0.45) GAAALDH1A1MAPTHPGDKMT2A
SCHEMBL31293520 0.62 NPC1 (0.40) SMN1; SMN2CYP2C9HPGDCYP2C19KMT2A
SCHEMBL14825630 0.62 CYP3A4 (0.41) SMN1; SMN2ALDH1A1HPGDKMT2AL3MBTL1
SCHEMBL21002168 0.62 GAA (0.40) GAAALDH1A1MAPTHPGDKMT2A
SCHEMBL18493977 0.60 HPGD (0.39) SMN1; SMN2ALDH1A1MAPTHPGDKMT2A

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
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