SCHEMBL8544675

SCHEMBL8544675

ONCc1ccc(OCCCOc2ccc(CNO)cc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.48
IDO1 P14902 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.47
KDM4E B2RXH2 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2D6 P10635 1/20 0.47
PDE4A P27815 1/20 0.47
HIF1A Q16665 1/20 0.47
HDAC10 Q969S8 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
TMPRSS2 O15393 1/20 0.44
DRD4 P21917 2/20 0.43
FAAH O00519 2/20 0.43
LMNA P02545 2/20 0.43
FURIN P09958 1/20 0.42
PRSS1 P07477 1/20 0.42
ALDH1A1 P00352 1/20 0.42
MAPT P10636 1/20 0.42
HPGD P15428 1/20 0.42
BCHE P06276 1/20 0.41

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 0.94 S1PR2 (0.47) THRBIDO1SMN1; SMN2KDM4ECYP1A2
SCHEMBL8543274 0.94 S1PR2 (0.47) THRBIDO1SMN1; SMN2KDM4ECYP1A2
SCHEMBL8544062 0.94 S1PR2 (0.47) THRBIDO1SMN1; SMN2KDM4ECYP1A2
SCHEMBL8550526 0.94 S1PR2 (0.47) THRBIDO1SMN1; SMN2KDM4ECYP1A2
SCHEMBL8551534 0.94 S1PR2 (0.47) THRBIDO1SMN1; SMN2KDM4ECYP1A2
SCHEMBL8552037 0.94 S1PR2 (0.47) THRBIDO1SMN1; SMN2KDM4ECYP1A2
SCHEMBL8549440 0.94 S1PR2 (0.47) THRBIDO1SMN1; SMN2KDM4ECYP1A2
SCHEMBL8551864 0.93 THRB (0.50) THRBIDO1SMN1; SMN2KDM4ECYP1A2
Formamide SCHEMBL8546773 0.84 S1PR1 (0.47) SMN1; SMN2KDM4ECYP1A2CYP2D6PDE4A
SCHEMBL8546355 0.81 ALDH1A1 (0.45) THRBIDO1SMN1; SMN2KDM4ECYP1A2

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