SCHEMBL7996814

SCHEMBL7996814

CC(C)(C)OC(=O)n1c(C2CCCCC2)nc(C(=O)OCc2ccccc2)c1C(O)C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 1/20 0.36
CTSL P07711 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
MAPT P10636 3/20 0.35
MAPK1 P28482 2/20 0.35
NPSR1 Q6W5P4 2/20 0.35
NTSR1 P30989 1/20 0.35
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
ADORA3 P0DMS8 2/20 0.34
FKBP1A P62942 2/20 0.34
ALDH1A1 P00352 1/20 0.34
POLB P06746 1/20 0.34
ELANE P08246 1/20 0.34
EPHX2 P34913 1/20 0.34
PDE4B Q07343 1/20 0.34
CYP3A4 P08684 1/20 0.33
TSHR P16473 1/20 0.33
HSD17B10 Q99714 1/20 0.33
MDM2 Q00987 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
SCHEMBL6330492 0.82 GPR119 (0.36) GPR119L3MBTL1MAPTMAPK1NPSR1
SCHEMBL6160554 0.71 FKBP1A (0.39) KMT2AADORA3FKBP1AALDH1A1EPHX2
SCHEMBL6097679 0.69 CCKBR (0.40) L3MBTL1MEN1KMT2AADORA3FKBP1A
SCHEMBL6330062 0.67 EPHX2 (0.37) GPR119L3MBTL1MEN1KMT2AEPHX2
SCHEMBL6160177 0.66 KMT2A (0.39) KMT2AADORA3FKBP1AALDH1A1EPHX2
SCHEMBL6096321 0.65 CCKBR (0.61) ADORA3FKBP1AEPHX2
SCHEMBL6159433 0.64 CCKBR (0.47) ADORA3EPHX2
SCHEMBL8626667 0.64 SYK (0.48) CTSLMAPTEPHX2CYP3A4TSHR
SCHEMBL722912 0.63 CNR2 (0.57) MAPK1POLBTSHR
SCHEMBL6159409 0.62 CCKBR (0.46) ADORA3EPHX2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2001085723-A1 GASTRIN AND CHOLECYSTOKININ RECEPTOR LIGANDS (II) JAMES BLACK FOUNDATION LIMITED (GB) 2001-11-15 WO disclosed