SCHEMBL8717352

SCHEMBL8717352

CC(C)OC(=O)Cc1cccc(OCc2ccccc2)c1[N+](=O)[O-]

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.50
HPD P32754 6/20 0.45
ALDH1A1 P00352 2/20 0.43
LMNA P02545 1/20 0.43
POLB P06746 1/20 0.43
HTT P42858 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
PTGER1 P34995 2/20 0.43
PTGER4 P35408 2/20 0.43
PTGER3 P43115 2/20 0.43
PTGER2 P43116 2/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
CYP19A1 P11511 1/20 0.42
CFD P00746 1/20 0.41
F11 P03951 1/20 0.41
TPSB2 P20231 1/20 0.41
FOLH1 Q04609 1/20 0.41
PPIA P62937 1/20 0.41
MAPT P10636 2/20 0.40

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
SCHEMBL8719056 0.84 PTGER1 (0.56) HPDALDH1A1LMNAPOLBHTT
SCHEMBL10831662 0.83 PTGER1 (0.46) HPDALDH1A1LMNAPOLBHTT
SCHEMBL8714342 0.81 TSHR (0.55) TSHRPTGER1PTGER4PTGER3PTGER2
SCHEMBL10506139 0.80 HPD (0.47) HPDALDH1A1LMNAPOLBHTT
SCHEMBL6339163 0.79 HPD (0.46) HPDMEN1KMT2ACYP19A1FOLH1
SCHEMBL6348032 0.79 HPD (0.47) HPDALDH1A1MEN1KMT2ACYP19A1
SCHEMBL15013285 0.77 MAPT (0.55) HPDALDH1A1MEN1KMT2ACYP19A1
SCHEMBL6598985 0.76 TSHR (0.49) TSHRALDH1A1LMNAMEN1KMT2A
SCHEMBL2986814 0.75 HPD (0.57) HPDALDH1A1PTGER1MEN1KMT2A
SCHEMBL647866 0.73 TDP1 (0.56) TSHRHPDALDH1A1MEN1KMT2A

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
EP-0708105-B1 5-HT4 receptor agonists NISSHIN FLOUR MILLING CO (JP) 1998-12-23 EP disclosed
US-5684003-A GASTROINTESTINAL DISORDERS OR ANTIULCER AGENTS NISSHIN FLOUR MILLING CO., LTD. (JP) 1997-11-04 US disclosed
EP-0708105-A1 5-HT4 receptor agonists NISSHIN FLOUR MILLING CO., LTD. (JP) 1996-04-24 EP disclosed