SCHEMBL9552008

SCHEMBL9552008

CCC(C)(OC(=O)c1cc(Oc2ccc(C(F)F)c(F)c2Cl)ccc1[N+](=O)[O-])C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 3/20 0.44
▸ KMT2A Q03164 4/20 0.43
▸ MEN1 O00255 3/20 0.43
▸ TTR P02766 2/20 0.43
▸ PPOX P50336 1/20 0.43
▸ ALDH1A1 P00352 3/20 0.35
▸ HPGD P15428 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ ALB P02768 1/20 0.33
▸ THRB P10828 1/20 0.33
▸ LMNA P02545 2/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ PYGL P06737 1/20 0.31
▸ TBXA2R P21731 1/20 0.31
▸ PPARA Q07869 3/20 0.31
▸ PPARD Q03181 2/20 0.31
▸ PPARG P37231 1/20 0.31
▸ POLB P06746 1/20 0.31

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
SCHEMBL29034725 0.82 TDP1 (0.58) TDP1KMT2AMEN1TTRPPOX
SCHEMBL9552009 0.81 TDP1 (0.41) TDP1KMT2AMEN1TTRPPOX
SCHEMBL9442005 0.80 TDP1 (0.45) TDP1KMT2AMEN1TTRPPOX
SCHEMBL7148282 0.80 MEN1 (0.69) TDP1KMT2AMEN1TTRPPOX
SCHEMBL28366683 0.76 SCN9A (0.46) TDP1KMT2AMEN1TTRPPOX
SCHEMBL11671714 0.68 TDP1 (0.78) TDP1KMT2AMEN1TTRPPOX
SCHEMBL10786523 0.67 TDP1 (0.62) TDP1KMT2AMEN1TTRPPOX
SCHEMBL10685122 0.67 TDP1 (0.74) TDP1KMT2AMEN1TTRPPOX
SCHEMBL11057422 0.66 TDP1 (0.70) TDP1KMT2AMEN1TTRPPOX
SCHEMBL9575568 0.66 MEN1 (0.67) TDP1KMT2AMEN1TTRPPOX

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5189169-A Postemergence herbicides IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-02-23 — — US disclosed
US-5084083-A Phenylthiazolecarboxylic acid derivative herbicides IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1992-01-28 — — US disclosed
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