SCHEMBL11460669

SCHEMBL11460669

CC(C)OC(=O)C(C)Oc1ccc2oc3cc(Cl)ccc3c2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH2 P05091 1/20 0.44
▸ ALDH1A1 P00352 8/20 0.43
▸ KDM4E B2RXH2 6/20 0.43
▸ HPGD P15428 6/20 0.43
▸ HSD17B10 Q99714 4/20 0.43
▸ MEN1 O00255 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ TP53 P04637 1/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ PTGER1 P34995 1/20 0.43
▸ PTGER3 P43115 1/20 0.43
▸ PTGER2 P43116 1/20 0.43
▸ PTGDR Q13258 1/20 0.43
▸ AHR P35869 2/20 0.42
▸ MAPT P10636 3/20 0.42
▸ LMNA P02545 2/20 0.42
▸ GAA P10253 1/20 0.41
▸ TSHR P16473 1/20 0.40
▸ HCRTR1 O43613 1/20 0.40
▸ MAOB P27338 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
SCHEMBL11454250 0.89 ALDH2 (0.56) ALDH2ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL11472640 0.86 ALDH1A1 (0.47) ALDH2ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL11461479 0.86 ALDH1A1 (0.57) ALDH2ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL11466087 0.85 ALDH1A1 (0.44) ALDH2ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL11336522 0.79 ALDH1A1 (0.56) ALDH2ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL11463460 0.78 ALDH1A1 (0.45) ALDH2ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL21103699 0.77 CYP1A2 (0.53) HPGDMEN1KMT2ACYP2C9MAPT
SCHEMBL21991450 0.77 CYP1A2 (0.53) HPGDMEN1KMT2ACYP2C9MAPT
SCHEMBL11466088 0.77 MAPT (0.47) ALDH1A1HPGDMEN1KMT2AMAPT
SCHEMBL11452754 0.76 SMN1; SMN2 (0.49) ALDH1A1KDM4EHPGDHSD17B10MEN1

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-4199346-A Herbicides based on 2-dibenzofuranyloxyalkanecarboxylic acid derivatives AMERICAN HOECHST CORPORATION (US) 1980-04-22 — — US disclosed
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