SCHEMBL8902115

SCHEMBL8902115

COC(=O)c1cc(C(C)O)c(OC)cc1OC

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.49
GAA P10253 5/20 0.49
KDM4E B2RXH2 7/20 0.46
KMT2A Q03164 3/20 0.44
POLB P06746 4/20 0.42
ATM Q13315 1/20 0.42
MGAM O43451 1/20 0.42
SI P14410 1/20 0.42
MGAM2 Q2M2H8 1/20 0.42
NPSR1 Q6W5P4 1/20 0.41
CYP3A4 P08684 1/20 0.41
HPGD P15428 4/20 0.40
HSD17B10 Q99714 2/20 0.40
USP2 O75604 1/20 0.40
RECQL P46063 1/20 0.39
ALDH1A1 P00352 3/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
FGFR1 P11362 1/20 0.38
SRC P12931 1/20 0.38
MEN1 O00255 1/20 0.38

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
SCHEMBL382174 0.88 GAA (0.50) HTTGAAKDM4EKMT2APOLB
SCHEMBL8902211 0.84 KDM4E (0.53) GAAKDM4EPOLBMGAMSI
SCHEMBL7466908 0.79 KDM4E (0.68) HTTGAAKDM4EKMT2APOLB
SCHEMBL6582728 0.79 KDM4E (0.67) HTTGAAKDM4EKMT2APOLB
SCHEMBL1018545 0.78 HTT (0.48) HTTGAAKDM4EKMT2APOLB
SCHEMBL23202774 0.77 GAA (0.64) GAAKMT2APOLBMGAMSI
SCHEMBL30350284 0.77 GAA (0.64) GAAKMT2APOLBMGAMSI
SCHEMBL18318870 0.77 GAA (0.58) HTTGAAKDM4EKMT2APOLB
SCHEMBL987413 0.75 MAPT (0.57) GAAKDM4EKMT2AATMNPSR1
SCHEMBL17176838 0.75 KDM4E (0.45) HTTGAAKDM4EPOLBNPSR1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5686482-A DOPAMINE RECEPTOR ANTAGONIST YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1997-11-11 US disclosed
EP-0757985-A1 N-(3-PYRROLIDINYL)BENZAMIDE DERIVATIVE YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 1997-02-12 EP disclosed