SCHEMBL10822223

SCHEMBL10822223

COC(=O)CC(=O)CCC(=O)c1cc(Oc2ccc(C(F)(F)F)cc2)ccc1[N+](=O)[O-]

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 5/20 0.48
▸ KMT2A Q03164 5/20 0.48
▸ TDP1 Q9NUW8 2/20 0.48
▸ TTR P02766 1/20 0.48
▸ PPOX P50336 1/20 0.48
▸ LMNA P02545 5/20 0.39
▸ SMN1; SMN2 Q16637 3/20 0.39
▸ ALDH1A1 P00352 4/20 0.39
▸ HPGD P15428 3/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ MAPT P10636 5/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ POLB P06746 1/20 0.37
▸ AKR1B1 P15121 1/20 0.37
▸ AKR1C4 P17516 1/20 0.37
▸ AKR1C3 P42330 1/20 0.37
▸ AKR1C2 P52895 1/20 0.37
▸ AKR1C1 Q04828 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
SCHEMBL10608534 0.90 MEN1 (0.54) MEN1KMT2ATDP1TTRPPOX
SCHEMBL10604884 0.88 MEN1 (0.67) MEN1KMT2ATDP1TTRPPOX
SCHEMBL10604953 0.86 MEN1 (0.49) MEN1KMT2ATDP1TTRPPOX
SCHEMBL10603239 0.83 MEN1 (0.66) MEN1KMT2ATDP1TTRPPOX
SCHEMBL11023426 0.81 TDP1 (0.58) MEN1KMT2ATDP1TTRPPOX
SCHEMBL10603393 0.80 MEN1 (0.69) MEN1KMT2ATDP1TTRPPOX
SCHEMBL11126332 0.79 TDP1 (0.58) MEN1KMT2ATDP1TTRPPOX
SCHEMBL10606341 0.78 TDP1 (0.69) MEN1KMT2ATDP1TTRPPOX
SCHEMBL9768812 0.78 MEN1 (0.72) MEN1KMT2ATDP1TTRPPOX
SCHEMBL11147168 0.78 MEN1 (0.72) 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
EP-0167349-A2 Meta-substituted dioxa-alkane carboxylic acids, esters, amides and salts of diphenyl ethers ROHM AND HAAS COMPANY (US) 1986-01-08 — — EP disclosed
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