SCHEMBL11062787

SCHEMBL11062787

O=C(COc1ccc(Cl)cc1Cl)OCCOCCOCCOC(=O)c1cc(Oc2ccc(C(F)(F)F)cc2Cl)ccc1[N+](=O)[O-]

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 3/20 0.60
▸ MEN1 O00255 3/20 0.60
▸ KMT2A Q03164 3/20 0.60
▸ TTR P02766 1/20 0.60
▸ PPOX P50336 1/20 0.60
▸ ALDH1A1 P00352 2/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ FFAR1 O14842 2/20 0.41
▸ MAPT P10636 4/20 0.40
▸ PLA2G1B P04054 1/20 0.40
▸ ATG4B Q9Y4P1 1/20 0.40
▸ PPARD Q03181 2/20 0.40
▸ LMNA P02545 4/20 0.39
▸ SMN1; SMN2 Q16637 3/20 0.39
▸ POLB P06746 1/20 0.39
▸ PPARA Q07869 1/20 0.38

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
SCHEMBL11060296 0.98 TDP1 (0.62) TDP1MEN1KMT2ATTRPPOX
SCHEMBL11065124 0.90 TDP1 (0.61) TDP1MEN1KMT2ATTRPPOX
SCHEMBL10500001 0.90 MEN1 (0.73) TDP1MEN1KMT2ATTRPPOX
SCHEMBL11110522 0.88 MEN1 (0.66) TDP1MEN1KMT2ATTRPPOX
SCHEMBL11109698 0.88 MEN1 (0.66) TDP1MEN1KMT2ATTRPPOX
SCHEMBL11106299 0.88 MEN1 (0.68) TDP1MEN1KMT2ATTRPPOX
SCHEMBL10499965 0.87 TDP1 (0.77) TDP1MEN1KMT2ATTRPPOX
SCHEMBL11112246 0.87 MEN1 (0.66) TDP1MEN1KMT2ATTRPPOX
SCHEMBL11107404 0.87 MEN1 (0.68) TDP1MEN1KMT2ATTRPPOX
SCHEMBL11111923 0.86 MEN1 (0.69) TDP1MEN1KMT2ATTRPPOX

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-4429146-A PRE- AND POSTEMERGENCE GAF CORPORATION (US) 1984-01-31 — — US claimed
US-4429146-A PRE- AND POSTEMERGENCE GAF CORPORATION (US) 1984-01-31 — — US disclosed
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