SCHEMBL9249200

SCHEMBL9249200

CCOC(=O)COC(=O)C(C)Oc1cc(Oc2c(Cl)cc(C(F)(F)F)cc2Cl)ccc1[N+](=O)[O-]

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
TDP1 Q9NUW8 3/20 0.44
TTR P02766 1/20 0.44
PPOX P50336 1/20 0.44
RAB9A P51151 1/20 0.36
LMNA P02545 3/20 0.36
MAPT P10636 3/20 0.36
THRB P10828 2/20 0.36
VDR P11473 1/20 0.36
ALDH1A1 P00352 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
HPGD P15428 1/20 0.35
NTSR1 P30989 1/20 0.35
CYP2C19 P33261 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
MGLL Q99685 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL11036501 0.89 KMT2A (0.44) MEN1KMT2ATDP1TTRPPOX
SCHEMBL10987548 0.86 TDP1 (0.48) MEN1KMT2ATDP1TTRPPOX
SCHEMBL11091040 0.86 MEN1 (0.45) MEN1KMT2ATDP1TTRPPOX
SCHEMBL11061020 0.84 TDP1 (0.53) MEN1KMT2ATDP1TTRPPOX
SCHEMBL11154481 0.84 MEN1 (0.50) MEN1KMT2ATDP1TTRPPOX
SCHEMBL10614668 0.84 MEN1 (0.61) MEN1KMT2ATDP1TTRPPOX
SCHEMBL10848125 0.82 L3MBTL1 (0.39) MEN1KMT2ATHRBALDH1A1CYP1A2
SCHEMBL11198684 0.82 MEN1 (0.40) MEN1KMT2ATDP1TTRPPOX
SCHEMBL9194369 0.81 TDP1 (0.46) MEN1KMT2ATDP1TTRPPOX
SCHEMBL9194374 0.81 TDP1 (0.46) MEN1KMT2ATDP1TTRPPOX

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0103732-A1 Means for selectively controlling weeds BAYER AG (DE) 1984-03-28 EP claimed
EP-0429293-B1 Postemergent herbicide compositions containing acetoxy-terminated silicone glycol and dispersant DOW CORNING (US) 1995-01-18 EP disclosed
EP-0355650-B1 POSTEMERGENT HERBICIDE COMPOSITIONS CONTAINING SILICONE GLYCOL ADJUVANTS DOW CORNING CORPORATION (US) 1992-11-11 EP disclosed
US-5145978-A Postemergent herbicide compositions containing silicone glycol adjuvants DOW CORNING CORPORATION (US) 1992-09-08 US disclosed
US-5145977-A Rainfastness to acifluorfen DOW CORNING CORPORATION (US) 1992-09-08 US disclosed
US-5017216-A Waterproof DOW CORNING CORPORATION (US) 1991-05-21 US disclosed
US-4933002-A IMPROVED RAINFASTNESS DOW CORNING CORPORATION (US) 1990-06-12 US disclosed
EP-0355650-A2 Postemergent herbicide compositions containing silicone glycol adjuvants DOW CORNING CORPORATION (US) 1990-02-28 EP disclosed
US-4626274-A SYNERGISTIC MIXTURE WITH ISOPROPYL MYRISTATE BAYER AKTIENGESELLSCHAFT (DE) 1986-12-02 US disclosed
EP-0103732-A1 Means for selectively controlling weeds BAYER AG (DE) 1984-03-28 EP disclosed
EP-0081128-A1 Process for the preparation of alcoxy-carbonyl-methyl esters of alpha-(5-(4-trifluoromethylphenoxy)-2-nitrophenoxy) propionic acid BAYER AG (DE) 1983-06-15 EP disclosed