SCHEMBL8768133

SCHEMBL8768133

CCOC(=O)COc1ccc2c(c1)C(O)C(NC(=O)OC(C)(C)C)CC2

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.40
NQO2 P16083 2/20 0.40
MTNR1A P48039 2/20 0.40
MTNR1B P49286 2/20 0.40
ADRB3 P13945 1/20 0.40
ALDH1A1 P00352 3/20 0.39
GAA P10253 4/20 0.38
MAPT P10636 1/20 0.38
KDM4E B2RXH2 3/20 0.38
HSD17B10 Q99714 2/20 0.38
ACHE P22303 2/20 0.37
HIF1A Q16665 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
LMNA P02545 1/20 0.36
KDM1A O60341 1/20 0.36
HPGD P15428 2/20 0.36
CASP1 P29466 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
SCHEMBL8768125 1.00 POLB (0.40) POLBNQO2MTNR1AMTNR1BADRB3
SCHEMBL9443665 0.81 ADRB3 (0.51) POLBMTNR1AMTNR1BADRB3ALDH1A1
SCHEMBL9443701 0.81 ADRB3 (0.51) POLBMTNR1AMTNR1BADRB3ALDH1A1
SCHEMBL9443694 0.81 ADRB3 (0.51) POLBMTNR1AMTNR1BADRB3ALDH1A1
SCHEMBL8767229 0.79 POLB (0.40) POLBADRB3ALDH1A1GAAKDM4E
SCHEMBL8767235 0.79 POLB (0.40) POLBADRB3ALDH1A1GAAKDM4E
SCHEMBL8765787 0.79 POLB (0.50) POLBADRB3ALDH1A1GAAKDM4E
SCHEMBL8767977 0.78 NQO2 (0.40) NQO2MTNR1AMTNR1BACHEKDM1A
SCHEMBL8767970 0.78 NQO2 (0.40) NQO2MTNR1AMTNR1BACHEKDM1A
SCHEMBL8767973 0.78 NQO2 (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