SCHEMBL10877259

SCHEMBL10877259

CCOC(=O)COC(=O)c1cc(Oc2c(F)c(F)c(C)c(F)c2Cl)ccc1[N+](=O)[O-]

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.42
▸ MAPT P10636 7/20 0.42
▸ TDP1 Q9NUW8 3/20 0.42
▸ PLA2G1B P04054 1/20 0.40
▸ ATG4B Q9Y4P1 1/20 0.40
▸ KMT2A Q03164 3/20 0.38
▸ L3MBTL1 Q9Y468 2/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ MEN1 O00255 2/20 0.37
▸ TTR P02766 1/20 0.37
▸ PPOX P50336 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.35
▸ LMNA P02545 4/20 0.35
▸ NPSR1 Q6W5P4 2/20 0.35
▸ GALR2 O43603 1/20 0.35
▸ MITF O75030 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ HSP90AA1 P07900 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ XBP1 P17861 1/20 0.35

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
SCHEMBL11114839 0.93 TDP1 (0.45) ALDH1A1MAPTTDP1PLA2G1BATG4B
SCHEMBL11266141 0.89 TDP1 (0.45) ALDH1A1MAPTTDP1PLA2G1BATG4B
SCHEMBL31118384 0.89 ALDH1A1 (0.42) ALDH1A1MAPTTDP1PLA2G1BATG4B
SCHEMBL11272565 0.88 TDP1 (0.41) ALDH1A1MAPTTDP1PLA2G1BATG4B
SCHEMBL9442003 0.85 SMN1; SMN2 (0.42) ALDH1A1MAPTTDP1PLA2G1BATG4B
SCHEMBL11213666 0.85 TDP1 (0.57) ALDH1A1MAPTTDP1PLA2G1BATG4B
SCHEMBL11278070 0.83 TDP1 (0.41) ALDH1A1MAPTTDP1PLA2G1BATG4B
SCHEMBL11190333 0.83 TDP1 (0.43) ALDH1A1MAPTTDP1KMT2AMAPK1
SCHEMBL9120594 0.83 MEN1 (0.52) ALDH1A1MAPTTDP1KMT2AMAPK1
SCHEMBL10430085 0.82 TDP1 (0.43) ALDH1A1MAPTTDP1KMT2AMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1509141-A Herbicides based on substituted aryl ketones �ݶ�ũ�����ѧ�ɷݹ�˾ 2004-06-30 — — CN claimed
CN-1407854-A N-aryi-uracile-based herbicides BAYER AG (DE) 2003-04-02 — — CN disclosed
EP-0206467-A1 Herbicides SCHERING AGROCHEMICALS LIMITED (GB) 1986-12-30 — — EP disclosed
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