SCHEMBL7958883

SCHEMBL7958883

CC(C)=CCN1CC(NC(=O)OC(C)(C)C)C(=O)Nc2cc(C)ccc21

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.36
EPHX2 P34913 1/20 0.36
PIM1 P11309 1/20 0.33
PIM3 Q86V86 1/20 0.33
PIM2 Q9P1W9 1/20 0.33
USP2 O75604 2/20 0.33
HSD17B10 Q99714 2/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
KMT2A Q03164 1/20 0.33
TSHR P16473 1/20 0.32
IDO1 P14902 1/20 0.32
NFKB1 P19838 2/20 0.32
NFKB2 Q00653 2/20 0.32
RELA Q04206 2/20 0.32
NAAA Q02083 1/20 0.32
CYP1A2 P05177 1/20 0.32
POLB P06746 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
SCHEMBL7950687 0.82 GAA (0.40) GAAEPHX2PIM1PIM3PIM2
SCHEMBL7950813 0.82 GAA (0.37) GAAEPHX2PIM1PIM3PIM2
SCHEMBL6176303 0.80 GAA (0.40) GAAEPHX2PIM1PIM3PIM2
SCHEMBL6179125 0.79 EPHX2 (0.39) GAAEPHX2PIM1PIM3PIM2
SCHEMBL7950643 0.79 GAA (0.38) GAAEPHX2PIM1PIM3PIM2
SCHEMBL6179174 0.78 EPHX2 (0.42) GAAEPHX2PIM1PIM3PIM2
SCHEMBL6177881 0.77 GAA (0.38) GAAEPHX2PIM1PIM3PIM2
SCHEMBL6175862 0.77 HSD17B10 (0.40) GAAEPHX2USP2HSD17B10KDM4E
SCHEMBL7950958 0.77 HSD17B10 (0.40) GAAEPHX2USP2HSD17B10KDM4E
SCHEMBL6176414 0.77 EPHX2 (0.41) GAAEPHX2PIM1PIM3PIM2

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
US-6239131-B1 WHICH HAVE GASTRIN AND/OR CCK-B (CHOLECYSTOKININ-B) RECEPTOR ANTAGONISM, USEFUL AS REMEDIES FOR GASTRIC ULCER AND GASTROINTESTINAL MOVEMENT DISORDER. ZERIA PHARMACEUTICAL CO., LTD. (JP) 2001-05-29 US disclosed