SCHEMBL8901237

SCHEMBL8901237

CNc1cc(C(=O)OC)c(OC)cc1OC

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.51
KDM4E B2RXH2 9/20 0.50
POLB P06746 3/20 0.50
ATM Q13315 1/20 0.50
HTT P42858 2/20 0.48
KMT2A Q03164 3/20 0.46
HPGD P15428 4/20 0.44
STING1 Q86WV6 1/20 0.43
HSD17B10 Q99714 4/20 0.43
GLA P06280 1/20 0.43
CYP3A4 P08684 1/20 0.43
ALDH1A1 P00352 4/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
MEN1 O00255 1/20 0.43
MAPT P10636 2/20 0.42
MAPK1 P28482 1/20 0.42
LMNA P02545 1/20 0.42
NPY1R P25929 1/20 0.42
NPY2R P49146 1/20 0.42
RAB9A P51151 1/20 0.42

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
SCHEMBL8902176 0.85 KDM4E (0.51) KDM4EKMT2AHPGDSTING1HSD17B10
SCHEMBL972983 0.84 GAA (0.64) GAAKDM4EPOLBATMHTT
SCHEMBL8901392 0.82 GAA (0.49) GAAKDM4EPOLBHTTKMT2A
SCHEMBL7466908 0.82 KDM4E (0.68) GAAKDM4EPOLBHTTKMT2A
SCHEMBL6582728 0.82 KDM4E (0.67) GAAKDM4EPOLBHTTKMT2A
SCHEMBL1966436 0.81 GAA (0.59) GAAKDM4EPOLBATMHTT
SCHEMBL31215241 0.81 GAA (0.59) GAAKDM4EPOLBATMHTT
SCHEMBL2337975 0.81 HTT (0.67) GAAKDM4EPOLBHTTKMT2A
SCHEMBL12190698 0.79 CHEK1 (0.47) GAAKDM4EPOLBHTTHSD17B10
SCHEMBL18968659 0.78 HTT (0.46) GAAKDM4EPOLBATMHTT

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