SCHEMBL10606237

SCHEMBL10606237

COC(=O)CC(=O)CCC(=O)c1cc(Oc2ccc(C#N)cc2Cl)ccc1[N+](=O)[O-]

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 2/20 0.53
▸ MERTK Q12866 1/20 0.46
▸ MEN1 O00255 4/20 0.45
▸ KMT2A Q03164 4/20 0.45
▸ TTR P02766 1/20 0.45
▸ PPOX P50336 1/20 0.45
▸ FFAR1 O14842 1/20 0.41
▸ PYGL P06737 1/20 0.39
▸ VCAM1 P19320 1/20 0.38
▸ HTR2A P28223 2/20 0.38
▸ KCNH2 Q12809 2/20 0.38
▸ SLC6A4 P31645 1/20 0.38
▸ MAPT P10636 2/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ LMNA P02545 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ GAA P10253 1/20 0.37
▸ PKM P14618 1/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ TP53 P04637 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
SCHEMBL10606341 0.88 TDP1 (0.69) TDP1MEN1KMT2ATTRPPOX
SCHEMBL10604884 0.84 MEN1 (0.67) TDP1MEN1KMT2ATTRPPOX
SCHEMBL10604953 0.80 MEN1 (0.49) TDP1MEN1KMT2ATTRPPOX
SCHEMBL10603239 0.80 MEN1 (0.66) TDP1MEN1KMT2ATTRPPOX
SCHEMBL10608534 0.77 MEN1 (0.54) TDP1MEN1KMT2ATTRPPOX
SCHEMBL10603393 0.76 MEN1 (0.69) TDP1MEN1KMT2ATTRPPOX
SCHEMBL10822223 0.74 MEN1 (0.48) TDP1MEN1KMT2ATTRPPOX
SCHEMBL10606203 0.74 FFAR1 (0.46) TDP1MEN1KMT2ATTRPPOX
SCHEMBL10788544 0.73 TDP1 (0.60) TDP1MERTKMEN1KMT2ATTR
Bifenox SCHEMBL7587174 0.71 TDP1 (0.75) TDP1MERTKMEN1KMT2ATTR

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
EP-0167349-B1 META-SUBSTITUTED DIOXA-ALKANE CARBOXYLIC ACIDS, ESTERS, AMIDES AND SALTS OF DIPHENYL ETHERS ROHM AND HAAS COMPANY (US) 1989-08-30 — — EP disclosed
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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