SCHEMBL8767977

SCHEMBL8767977

CC(C)(C)OC(=O)NC1CCc2ccc(O)cc2C1O

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NQO2 P16083 1/20 0.40
MTNR1A P48039 1/20 0.40
MTNR1B P49286 1/20 0.40
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40
ACHE P22303 2/20 0.40
ESR2 Q92731 2/20 0.40
MAOB P27338 2/20 0.39
MAOA P21397 1/20 0.39
KDM1A O60341 2/20 0.39
ANO1 Q5XXA6 1/20 0.39
BRD9 Q9H8M2 1/20 0.37
EPHX2 P34913 1/20 0.37
ESR1 P03372 1/20 0.36
NFKB1 P19838 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
DRD2 P14416 1/20 0.36
PDE4B Q07343 1/20 0.36

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
SCHEMBL8767973 1.00 NQO2 (0.40) NQO2MTNR1AMTNR1BCA1CA2
SCHEMBL8767970 1.00 NQO2 (0.40) NQO2MTNR1AMTNR1BCA1CA2
SCHEMBL16082718 0.84 EPHX2 (0.47) MTNR1AMTNR1BMAOBKDM1ABRD9
SCHEMBL1372805 0.84 MAOA (0.50) NQO2MTNR1AMTNR1BCA1CA2
SCHEMBL3300984 0.84 MAOA (0.50) NQO2MTNR1AMTNR1BCA1CA2
SCHEMBL7942829 0.84 MAOA (0.50) NQO2MTNR1AMTNR1BCA1CA2
SCHEMBL14962077 0.80 TRPV1 (0.49) ESR2MAOBKDM1AESR1PDE4B
SCHEMBL2804784 0.79 TRPV1 (0.50) ESR2MAOBMAOA
SCHEMBL7896611 0.79 ESR1 (0.42) ESR2ESR1
SCHEMBL8768125 0.78 POLB (0.40) NQO2MTNR1AMTNR1BACHEKDM1A

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-0579833-B1 ETHANOLAMINE DERIVATIVES WITH ANTI-POLLAKIURIA ACTIVITY FUJISAWA PHARMACEUTICAL CO (JP) 1997-08-20 EP disclosed
EP-0579833-A1 ETHANOLAMINE DERIVATIVES WITH ANTI-POLLAKIURIA ACTIVITY. FUJISAWA PHARMACEUTICAL CO (JP) 1994-01-26 EP disclosed
WO-1992018461-A1 ETHANOLAMINE DERIVATIVES WITH ANTI-POLLAKIURIA ACTIVITY FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1992-10-29 WO disclosed