SCHEMBL10728482

SCHEMBL10728482

CCOC(=O)COC(=O)C(C)ON=C(COC)c1cc(Oc2ccc(C(F)(F)F)cc2Cl)ccc1[N+](=O)[O-]

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 4/20 0.56
▸ KMT2A Q03164 4/20 0.56
▸ TDP1 Q9NUW8 2/20 0.56
▸ TTR P02766 1/20 0.56
▸ PPOX P50336 1/20 0.56
▸ FFAR1 O14842 3/20 0.39
▸ LMNA P02545 5/20 0.35
▸ SMN1; SMN2 Q16637 3/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ POLB P06746 2/20 0.35
▸ MRGPRX4 Q96LA9 1/20 0.35
▸ PPARD Q03181 2/20 0.35
▸ PPARA Q07869 1/20 0.34
▸ MAPT P10636 3/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ CCR6 P51684 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ GPR55 Q9Y2T6 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
SCHEMBL10729150 0.94 MEN1 (0.57) MEN1KMT2ATDP1TTRPPOX
SCHEMBL10379212 0.93 MEN1 (0.56) MEN1KMT2ATDP1TTRPPOX
SCHEMBL10379438 0.91 MEN1 (0.52) MEN1KMT2ATDP1TTRPPOX
SCHEMBL10378680 0.90 MEN1 (0.58) MEN1KMT2ATDP1TTRPPOX
SCHEMBL940437 0.89 TDP1 (0.63) MEN1KMT2ATDP1TTRPPOX
SCHEMBL940435 0.89 TDP1 (0.63) MEN1KMT2ATDP1TTRPPOX
SCHEMBL940434 0.89 TDP1 (0.63) MEN1KMT2ATDP1TTRPPOX
SCHEMBL10732695 0.89 MEN1 (0.53) MEN1KMT2ATDP1TTRPPOX
SCHEMBL10378683 0.88 MEN1 (0.54) MEN1KMT2ATDP1TTRPPOX
SCHEMBL10377437 0.88 TDP1 (0.57) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4708734-A HIGH SELECTIVITY ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) 1987-11-24 — — US disclosed
EP-0186989-A2 5-(2-chloro-4-trifluoromethylphenoxy)-2-nitro-alpha-substituted-acetophenone, oxime derivative thereof, process for preparing thereof, herbicidal composition, and method for the destruction of undesirable weeds Asahi Kasei Kogyo Kabushiki Kaisha (JP) 1986-07-09 — — EP disclosed
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