SCHEMBL9464191

SCHEMBL9464191

O=C(CCc1ccccc1)OCC(O)COC(=O)CCc1ccccc1

nearest known ligand 0.70

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.70
LPAR1 Q92633 5/20 0.62
ADRB2 P07550 2/20 0.58
ADRB1 P08588 2/20 0.58
ADRB3 P13945 2/20 0.58
KEAP1 Q14145 1/20 0.52
TRPA1 O75762 1/20 0.51
APP P05067 1/20 0.51
ALDH1A1 P00352 2/20 0.50
MAPT P10636 1/20 0.49
FFAR1 O14842 1/20 0.48

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
SCHEMBL9463643 0.90 LPAR1 (0.71) TDP1LPAR1ADRB2ADRB1ADRB3
SCHEMBL16846413 0.89 TDP1 (0.60) TDP1LPAR1ADRB2ADRB1ADRB3
SCHEMBL29053751 0.86 TDP1 (0.66) TDP1LPAR1ADRB2ADRB1ADRB3
SCHEMBL3185725 0.84 TDP1 (0.68) TDP1ADRB2ADRB1ADRB3KEAP1
SCHEMBL28182817 0.83 TDP1 (1.00) TDP1KEAP1APPALDH1A1MAPT
SCHEMBL1983179 0.82 ADRB2 (0.66) TDP1LPAR1ADRB2ADRB1ADRB3
SCHEMBL24088559 0.82 LMNA (0.59) TDP1LPAR1ADRB2ADRB1ADRB3
SCHEMBL9463746 0.81 ADRB2 (0.68) LPAR1ADRB2ADRB1ADRB3ALDH1A1
SCHEMBL30547113 0.81 TDP1 (0.64) TDP1ADRB2ADRB1ADRB3KEAP1
SCHEMBL12873308 0.81 TDP1 (0.64) TDP1LPAR1ADRB2ADRB1ADRB3

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5225590-A Alkoxy methyl ether and alkoxy methyl ester derivatives SYNTEX (U.S.A.) INC. (US) 1993-07-06 US disclosed
EP-0187297-B1 ALKOXY METHYL ETHER AND ALKOXY METHYL ESTER DERIVATIVES SYNTEX (U.S.A.) INC. (US) 1991-08-21 EP disclosed
EP-0187297-A2 Alkoxy methyl ether and alkoxy methyl ester derivatives SYNTEX (U.S.A.) INC. (US) 1986-07-16 EP disclosed