SCHEMBL8518852

SCHEMBL8518852

C=CC(=O)OCCOCC(O)CC

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 8/20 0.60
ALDH1A1 P00352 5/20 0.60
TP53 P04637 3/20 0.60
HIF1A Q16665 3/20 0.60
HSD17B10 Q99714 2/20 0.60
THRB P10828 4/20 0.54
HPGD P15428 1/20 0.50
CYP3A4 P08684 3/20 0.46
MAPK1 P28482 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HCAR2 Q8TDS4 1/20 0.34
USP2 O75604 1/20 0.33
ATM Q13315 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C19 P33261 1/20 0.32
HTT P42858 1/20 0.32
LPAR5 Q9H1C0 1/20 0.31

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
SCHEMBL15304938 0.90 TSHR (0.56) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL7267530 0.84 TSHR (0.62) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL24604357 0.84 TSHR (0.62) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL34872 0.83 TSHR (0.61) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL28785943 0.83 TSHR (0.61) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL27821520 0.83 TSHR (0.61) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL4850587 0.83 TSHR (0.60) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL4843885 0.83 TSHR (0.60) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL12629198 0.82 TSHR (0.57) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL9418348 0.82 TSHR (0.57) TSHRALDH1A1TP53HIF1AHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0728572-B1 Process for making transparent articles of graduated refractive index ESSILOR INT (FR) 1999-05-19 EP claimed
EP-0728572-A2 Process for making transparent articles of graduated refractive index ESSILOR INTERNATIONAL COMPAGNIE GENERALE D'OPTIQUE (FR) 1996-08-28 EP claimed
EP-0250779-A1 Process for repairing bottles SOCIETE DES VERNIS BOUVET (FR) 1988-01-07 EP claimed
EP-0728572-B1 Process for making transparent articles of graduated refractive index ESSILOR INT (FR) 1999-05-19 EP disclosed
EP-0728572-A2 Process for making transparent articles of graduated refractive index ESSILOR INTERNATIONAL COMPAGNIE GENERALE D'OPTIQUE (FR) 1996-08-28 EP disclosed
EP-0250779-A1 Process for repairing bottles SOCIETE DES VERNIS BOUVET (FR) 1988-01-07 EP disclosed