SCHEMBL11269737

SCHEMBL11269737

CCOC(=O)COc1cc(Cl)ccc1Oc1ccc(Cl)cc1Cl

nearest known ligand 0.62

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.62
ALDH1A1 P00352 2/20 0.62
L3MBTL1 Q9Y468 1/20 0.62
TSHR P16473 2/20 0.54
MAPK1 P28482 1/20 0.54
KDM4E B2RXH2 1/20 0.51
PKM P14618 1/20 0.50
GAA P10253 1/20 0.50
MAPT P10636 3/20 0.49
TTR P02766 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48

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
SCHEMBL29369910 0.90 TDP1 (0.74) TDP1ALDH1A1L3MBTL1TSHRMAPK1
SCHEMBL1694924 0.90 TDP1 (0.74) TDP1ALDH1A1L3MBTL1TSHRMAPK1
SCHEMBL12160263 0.88 TDP1 (0.57) TDP1ALDH1A1L3MBTL1TSHRMAPK1
SCHEMBL2119175 0.87 TDP1 (0.56) TDP1ALDH1A1L3MBTL1TSHRMAPK1
SCHEMBL16326790 0.86 TDP1 (0.64) TDP1ALDH1A1L3MBTL1TSHRMAPK1
SCHEMBL2117921 0.86 LMNA (0.59) TDP1ALDH1A1L3MBTL1TSHRMAPT
SCHEMBL6813621 0.85 ALDH1A1 (0.58) TDP1ALDH1A1L3MBTL1TSHRMAPK1
SCHEMBL11221531 0.84 ALDH1A1 (0.58) TDP1ALDH1A1L3MBTL1TSHRMAPK1
SCHEMBL5143188 0.83 TDP1 (0.58) TDP1ALDH1A1L3MBTL1TSHRGAA
SCHEMBL8857861 0.81 ALDH1A1 (0.55) TDP1ALDH1A1L3MBTL1TSHRMAPK1

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-4309210-A HERBICIDE AND SAFENING AGENT CIBA-GEIGY CORPORATION (US) 1982-01-05 US disclosed