SCHEMBL11519342

SCHEMBL11519342

O=C(CCc1ccccc1)OCCn1c(=O)[nH]c(=O)[nH]c1=O

nearest known ligand 0.64

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.64
ALDH1A1 P00352 4/20 0.54
APP P05067 1/20 0.49
RXFP1 Q9HBX9 1/20 0.46
ALOX5 P09917 1/20 0.46
MAPT P10636 2/20 0.44
KDM4E B2RXH2 1/20 0.42
DAO P14920 1/20 0.42
FFAR1 O14842 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
SCHEMBL28182817 0.80 TDP1 (1.00) TDP1ALDH1A1APPALOX5MAPT
SCHEMBL5265446 0.78 FNTA (0.39) TDP1ALDH1A1MAPTKDM4E
SCHEMBL9367557 0.77 TDP1 (0.92) TDP1ALDH1A1APPALOX5MAPT
SCHEMBL28562224 0.77 KMT2A (0.60) ALDH1A1MAPTKDM4EDAO
SCHEMBL27807272 0.75 TDP1 (0.89) TDP1ALDH1A1APPALOX5MAPT
Ammonia Solution, Strong SCHEMBL11481573 0.75 TDP1 (0.89) TDP1ALDH1A1APPALOX5MAPT
SCHEMBL10602750 0.74 GAA (0.57) TDP1ALDH1A1MAPTKDM4E
SCHEMBL6425149 0.74 TDP1 (0.85) TDP1ALDH1A1APPALOX5MAPT
SCHEMBL2540241 0.74 TDP1 (0.85) TDP1ALDH1A1APPRXFP1ALOX5
SCHEMBL13583897 0.72 TDP1 (0.82) TDP1ALDH1A1APPALOX5MAPT

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-4145556-A N,N*-BIS(ALKYLHYDROXYPHENYL)ALKANOYLOXY-HYDROCARBYL)OXAMIDES MONSANTO COMPANY (US) 1979-03-20 US disclosed