SCHEMBL11286167

SCHEMBL11286167

O=C(CCc1cc[c]cc1)OCc1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.64
ALDH1A1 P00352 3/20 0.54
MAPK1 P28482 2/20 0.54
L3MBTL1 Q9Y468 2/20 0.54
CASP1 P29466 1/20 0.49
APP P05067 1/20 0.48
KEAP1 Q14145 1/20 0.47
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47
FFAR1 O14842 1/20 0.46
FFAR4 Q5NUL3 1/20 0.46
SLC6A2 P23975 1/20 0.46
SLC6A3 Q01959 1/20 0.46
LMNA P02545 1/20 0.46
MAPT P10636 1/20 0.46
TRPV1 Q8NER1 1/20 0.45

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
SCHEMBL304176 0.90 TDP1 (0.78) TDP1ALDH1A1MAPK1L3MBTL1CASP1
SCHEMBL28207503 0.88 TDP1 (0.75) TDP1ALDH1A1MAPK1L3MBTL1CASP1
Ammonia Solution, Strong SCHEMBL28588274 0.88 TDP1 (0.75) TDP1ALDH1A1MAPK1L3MBTL1CASP1
Bicarbonate SCHEMBL7699565 0.88 TDP1 (0.75) TDP1ALDH1A1MAPK1L3MBTL1CASP1
SCHEMBL305392 0.83 TDP1 (0.68) TDP1ALDH1A1MAPK1L3MBTL1CASP1
SCHEMBL11279085 0.83 ALDH1A1 (0.79) TDP1ALDH1A1MAPK1L3MBTL1CASP1
SCHEMBL3708328 0.82 TDP1 (0.66) TDP1ALDH1A1MAPK1L3MBTL1CASP1
SCHEMBL11276134 0.82 FFAR1 (0.54) TDP1ALDH1A1MAPK1L3MBTL1KMT2A
SCHEMBL20224987 0.81 TDP1 (0.64) TDP1ALDH1A1MAPK1L3MBTL1CASP1
SCHEMBL20824921 0.81 TDP1 (0.64) TDP1ALDH1A1MAPK1L3MBTL1CASP1

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-4348410-A Cyclohexane carboxylic acid derivatives NIPPON CHEMIPHAR CO., LTD. (JP) 1982-09-07 US disclosed