SCHEMBL8552037

SCHEMBL8552037

ONCc1ccc(OCCCCCCCCCCOc2ccc(CNO)cc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR2 O95136 2/20 0.47
S1PR1 P21453 2/20 0.47
S1PR3 Q99500 2/20 0.47
LPAR2 Q9HBW0 2/20 0.47
THRB P10828 1/20 0.46
IDO1 P14902 1/20 0.46
CYP2D6 P10635 2/20 0.46
KDM4E B2RXH2 1/20 0.46
CYP1A2 P05177 1/20 0.46
PDE4A P27815 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
HIF1A Q16665 1/20 0.46
HDAC10 Q969S8 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
PRMT1 Q99873 3/20 0.46
F2 P00734 2/20 0.46
ST14 Q9Y5Y6 2/20 0.46
PLAU P00749 1/20 0.46
GAA P10253 1/20 0.46
PRMT5 O14744 1/20 0.46

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
SCHEMBL8551450 1.00 S1PR2 (0.47) S1PR2S1PR1S1PR3LPAR2THRB
SCHEMBL8550526 1.00 S1PR2 (0.47) S1PR2S1PR1S1PR3LPAR2THRB
SCHEMBL8549440 1.00 S1PR2 (0.47) S1PR2S1PR1S1PR3LPAR2THRB
SCHEMBL8543274 1.00 S1PR2 (0.47) S1PR2S1PR1S1PR3LPAR2THRB
SCHEMBL8551534 1.00 S1PR2 (0.47) S1PR2S1PR1S1PR3LPAR2THRB
SCHEMBL8544062 1.00 S1PR2 (0.47) S1PR2S1PR1S1PR3LPAR2THRB
SCHEMBL8544675 0.94 THRB (0.48) S1PR2S1PR1S1PR3LPAR2THRB
SCHEMBL8551864 0.91 THRB (0.50) THRBIDO1CYP2D6KDM4ECYP1A2
Formamide SCHEMBL8546773 0.89 S1PR1 (0.47) S1PR2S1PR1S1PR3LPAR2CYP2D6
SCHEMBL8546355 0.80 ALDH1A1 (0.45) THRBIDO1CYP2D6KDM4ECYP1A2

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