SCHEMBL11340277

SCHEMBL11340277

CC(Oc1ccc2c(c1)oc1cc(Cl)ccc12)C(=O)OCCCOc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HCRTR1 O43613 1/20 0.45
▸ SIRT1 Q96EB6 1/20 0.43
▸ ALDH1A1 P00352 3/20 0.43
▸ HPGD P15428 2/20 0.43
▸ PPARG P37231 3/20 0.42
▸ PPARA Q07869 2/20 0.42
▸ AR P10275 1/20 0.42
▸ ALDH2 P05091 1/20 0.42
▸ LMNA P02545 3/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ AHR P35869 1/20 0.40
▸ FFAR1 O14842 2/20 0.39
▸ MAPT P10636 2/20 0.39
▸ TP53 P04637 1/20 0.39
▸ KCNA3 P22001 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ BCHE P06276 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ PPARD Q03181 1/20 0.39

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
SCHEMBL11345947 0.95 HCRTR1 (0.46) HCRTR1SIRT1ALDH1A1HPGDPPARG
SCHEMBL11339147 0.87 HTT (0.48) ALDH2KDM4E
SCHEMBL11346947 0.85 ALDH2 (0.43) HCRTR1ALDH1A1HPGDARALDH2
SCHEMBL11363873 0.85 TDP1 (0.44) ALDH1A1HPGDALDH2L3MBTL1KDM4E
SCHEMBL11340905 0.82 HCRTR1 (0.46) HCRTR1SIRT1ALDH1A1HPGDPPARG
SCHEMBL11338343 0.81 PPARG (0.47) ALDH1A1PPARGPPARAL3MBTL1KCNA3
SCHEMBL11342495 0.81 MCL1 (0.49) HCRTR1ALDH1A1HPGDAHRKDM4E
SCHEMBL11351127 0.80 HTT (0.46) ALDH2KDM4E
SCHEMBL11336242 0.80 ALDH2 (0.42) HCRTR1ALDH1A1HPGDARALDH2
SCHEMBL11340659 0.79 HCRTR1 (0.43) HCRTR1SIRT1ALDH1A1HPGDPPARG

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-0035744-A1 Dibenzo-furane-oxyalkane carboxylic acid esters, process for their preparation, herbicides containing them and their use as herbicides BASF Aktiengesellschaft (DE) 1981-09-16 — — EP claimed
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