SCHEMBL8551864

SCHEMBL8551864

ONCc1ccc(OCCOc2ccc(CNO)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.50
IDO1 P14902 1/20 0.50
DRD4 P21917 2/20 0.44
KDM4E B2RXH2 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
PDE4A P27815 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
HIF1A Q16665 1/20 0.44
HDAC10 Q969S8 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
MAPT P10636 1/20 0.44
BCHE P06276 1/20 0.42
PRSS1 P07477 2/20 0.42
NOS1 P29475 1/20 0.41
NOS2 P35228 1/20 0.41
TSHR P16473 1/20 0.41
RECQL P46063 1/20 0.41
FAAH O00519 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
SCHEMBL8544675 0.93 THRB (0.48) THRBIDO1DRD4KDM4ECYP1A2
SCHEMBL8543274 0.91 S1PR2 (0.47) THRBIDO1KDM4ECYP1A2CYP2D6
SCHEMBL8549440 0.91 S1PR2 (0.47) THRBIDO1KDM4ECYP1A2CYP2D6
SCHEMBL8544062 0.91 S1PR2 (0.47) THRBIDO1KDM4ECYP1A2CYP2D6
SCHEMBL8550526 0.91 S1PR2 (0.47) THRBIDO1KDM4ECYP1A2CYP2D6
SCHEMBL8552037 0.91 S1PR2 (0.47) THRBIDO1KDM4ECYP1A2CYP2D6
SCHEMBL8551450 0.91 S1PR2 (0.47) THRBIDO1KDM4ECYP1A2CYP2D6
SCHEMBL8551534 0.91 S1PR2 (0.47) THRBIDO1KDM4ECYP1A2CYP2D6
SCHEMBL8546355 0.83 ALDH1A1 (0.45) THRBIDO1KDM4ECYP1A2CYP2D6
SCHEMBL25200171 0.83 ACACB (0.44) THRBKDM4ECYP1A2CYP2D6PDE4A

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