SCHEMBL11115309

SCHEMBL11115309

CC(=O)OCCSSCCOC(=O)c1cc(Oc2ccc(C(F)(F)F)cc2Cl)ccc1[N+](=O)[O-]

nearest known ligand 0.65

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.65
▸ KMT2A Q03164 3/20 0.65
▸ TDP1 Q9NUW8 2/20 0.65
▸ TTR P02766 1/20 0.65
▸ PPOX P50336 1/20 0.65
▸ FFAR1 O14842 5/20 0.42
▸ PPARD Q03181 2/20 0.41
▸ LMNA P02545 5/20 0.40
▸ SMN1; SMN2 Q16637 4/20 0.40
▸ POLB P06746 2/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ MAPT P10636 2/20 0.39
▸ CCR6 P51684 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ GPR55 Q9Y2T6 1/20 0.39
▸ PYGL P06737 1/20 0.38
▸ MRGPRX4 Q96LA9 1/20 0.38
▸ HPGD P15428 1/20 0.37
▸ PPARA Q07869 1/20 0.37

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
SCHEMBL10501553 0.96 MEN1 (0.70) MEN1KMT2ATDP1TTRPPOX
SCHEMBL9338282 0.94 MEN1 (0.70) MEN1KMT2ATDP1TTRPPOX
Methyl Alcohol SCHEMBL11112254 0.93 MEN1 (0.69) MEN1KMT2ATDP1TTRPPOX
SCHEMBL11261526 0.92 MEN1 (0.66) MEN1KMT2ATDP1TTRPPOX
SCHEMBL11115029 0.92 MEN1 (0.68) MEN1KMT2ATDP1TTRPPOX
SCHEMBL10500277 0.90 MEN1 (0.70) MEN1KMT2ATDP1TTRPPOX
SCHEMBL10499965 0.89 TDP1 (0.77) MEN1KMT2ATDP1TTRPPOX
SCHEMBL11394251 0.88 MEN1 (0.69) MEN1KMT2ATDP1TTRPPOX
SCHEMBL11265405 0.87 TDP1 (0.74) MEN1KMT2ATDP1TTRPPOX
SCHEMBL10501353 0.87 TDP1 (0.74) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4435588-A 2'-CHLORO-4'-TRIFLUOROMETHYL-PHENOXY-3-BENZOATE DERIVATIVES GAF CORPORATION (US) 1984-03-06 — — US disclosed
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