SCHEMBL11023973

SCHEMBL11023973

CC(CC(=O)O)Nc1cc(Oc2c(Cl)cc(Cl)cc2Cl)ccc1[N+](=O)[O-]

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.43
THRA P10827 7/20 0.40
THRB P10828 7/20 0.40
HCAR3 P49019 2/20 0.40
ALDH1A1 P00352 2/20 0.39
GAA P10253 1/20 0.39
HPGD P15428 1/20 0.39
FFAR1 O14842 1/20 0.39
PTGDR Q13258 1/20 0.38
POLB P06746 1/20 0.38
MAPT P10636 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
AKR1B10 O60218 1/20 0.38
AKR1B1 P15121 1/20 0.38
AKR1C4 P17516 1/20 0.38
AKR1C3 P42330 1/20 0.38
AKR1C2 P52895 1/20 0.38
AKR1C1 Q04828 1/20 0.38

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
SCHEMBL11195406 0.89 MEN1 (0.47) TDP1THRATHRBHCAR3ALDH1A1
SCHEMBL10994566 0.86 ALDH1A1 (0.46) TDP1THRATHRBHCAR3ALDH1A1
SCHEMBL10998399 0.83 TDP1 (0.44) TDP1THRATHRBALDH1A1GAA
SCHEMBL10992241 0.83 TDP1 (0.47) TDP1THRATHRBALDH1A1HPGD
SCHEMBL10998394 0.82 TDP1 (0.42) TDP1THRATHRBALDH1A1GAA
SCHEMBL11023968 0.81 TDP1 (0.45) TDP1THRATHRBALDH1A1PTGDR
SCHEMBL10454658 0.80 MEN1 (0.62) TDP1ALDH1A1FFAR1POLBMAPT
SCHEMBL10884723 0.78 TDP1 (0.41) TDP1THRATHRBALDH1A1GAA
SCHEMBL10884760 0.78 L3MBTL1 (0.39) TDP1THRATHRBALDH1A1GAA
SCHEMBL17673216 0.78 ALDH1A1 (0.45) HCAR3ALDH1A1HPGDFFAR1MAPT

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
EP-0080746-B1 NEW DIPHENYL ETHERS HAVING HERBICIDAL ACTIVITY DUPHAR INTERNATIONAL RESEARCH B.V (NL) 1985-08-21 EP disclosed