SCHEMBL8551311

SCHEMBL8551311

ONCc1ccc(O[C@@H]2CC[C@H](Oc3ccc(CNO)cc3)C2)cc1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.50
TSHR P16473 1/20 0.50
ALOX12 P18054 1/20 0.43
FURIN P09958 2/20 0.42
HRH3 Q9Y5N1 2/20 0.41
THRB P10828 1/20 0.41
IDO1 P14902 1/20 0.41
HRH1 P35367 1/20 0.38
ACACB O00763 2/20 0.38
HSD17B10 Q99714 1/20 0.38
FFAR4 Q5NUL3 2/20 0.37
BCL2A1 Q16548 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
SCHEMBL8549917 1.00 ALDH1A1 (0.50) ALDH1A1TSHRALOX12FURINHRH3
SCHEMBL8549928 1.00 ALDH1A1 (0.50) ALDH1A1TSHRALOX12FURINHRH3
SCHEMBL8549921 1.00 ALDH1A1 (0.50) ALDH1A1TSHRALOX12FURINHRH3
Formamide SCHEMBL8544286 0.85 ALDH1A1 (0.51) ALDH1A1TSHRALOX12FURINHRH3
SCHEMBL25192665 0.78 ALDH1A1 (0.57) ALDH1A1TSHRALOX12HRH3ACACB
SCHEMBL16902888 0.73 FURIN (0.56) ALDH1A1TSHRALOX12FURINHRH1
SCHEMBL16902893 0.71 ALDH1A1 (0.53) ALDH1A1TSHRALOX12HRH3HRH1
SCHEMBL12489770 0.71 ALDH1A1 (0.53) ALDH1A1TSHRALOX12HRH3HRH1
SCHEMBL8546020 0.69 FURIN (0.51) ALDH1A1TSHRFURINHRH3HRH1
SCHEMBL8551864 0.69 THRB (0.50) TSHRTHRBIDO1

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-0696585-B1 NOVEL BISOXADIAZOLIDINE DERIVATIVE YAMANOUCHI PHARMA CO LTD (JP) 1998-12-16 EP disclosed
US-5643931-A ANTIDIABETIC AGENTS YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1997-07-01 US disclosed
EP-0696585-A1 NOVEL BISOXADIAZOLIDINE DERIVATIVE YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 1996-02-14 EP disclosed