SCHEMBL11486604

SCHEMBL11486604

COc1ccccc1-c1cccc2c1C(=O)OCC2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.44
MAOB P27338 1/20 0.43
KDM4E B2RXH2 3/20 0.42
ALDH1A1 P00352 2/20 0.42
MAPT P10636 2/20 0.42
GAA P10253 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
UGCG Q16739 1/20 0.41
GSK3A P49840 1/20 0.41
GSK3B P49841 1/20 0.41
TOP1 P11387 1/20 0.41
LMNA P02545 1/20 0.40
MEN1 O00255 1/20 0.40
USP2 O75604 1/20 0.40
DUSP3 P51452 1/20 0.40
KMT2A Q03164 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
MIF P14174 1/20 0.40
PTGS2 P35354 1/20 0.40
MTNR1A P48039 1/20 0.40

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
SCHEMBL11495734 0.84 MAPT (0.46) KDM4EALDH1A1MAPTGAAL3MBTL1
SCHEMBL11486169 0.80 MAOA (0.43) MAOBKDM4EALDH1A1MAPTMEN1
SCHEMBL11488220 0.76 ANPEP (0.40) DRD2MAOBALDH1A1
SCHEMBL11485963 0.76 HTR1A (0.45) MAOBKDM4EALDH1A1MAPTGAA
SCHEMBL9145281 0.74 PTK2 (0.37) KDM4EMAPTLMNA
SCHEMBL11495822 0.73 KDM4E (0.47) KDM4EALDH1A1MAPTGAALMNA
SCHEMBL5959482 0.73 PGR (0.52) DRD2MAOBKDM4EALDH1A1MAPT
SCHEMBL1029836 0.71 KDM4E (0.67) MAOBKDM4EMAPTGAATOP1
SCHEMBL29126288 0.71 MAPT (0.66) KDM4EALDH1A1MAPTL3MBTL1TOP1
SCHEMBL13021607 0.71 MAOA (0.49) DRD2MAOBKDM4EALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4220778-A ANTIARRHYTHMIC, ANTIMICROBIAL AND CENTRAL NERVOUS SYSTEM ACTIVITY G. D. SEARLE & CO. (US) 1980-09-02 US disclosed