SCHEMBL8900741

SCHEMBL8900741

C/C=C/C(=O)OCCCCOC(=O)/C=C/C.C=COCCOC=C

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.48
ALDH1A1 P00352 3/20 0.48
CYP3A4 P08684 1/20 0.48
ATM Q13315 1/20 0.47
HCAR2 Q8TDS4 4/20 0.44
HPGD P15428 1/20 0.44
MAPT P10636 1/20 0.37
RAB9A P51151 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
TP53 P04637 2/20 0.35
HIF1A Q16665 2/20 0.35
HSD17B10 Q99714 1/20 0.35
APP P05067 4/20 0.34
PRKCA P17252 2/20 0.33
GSTP1 P09211 1/20 0.33
HTT P42858 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL20875236 0.86 ATM (0.60) TSHRALDH1A1CYP3A4ATMHCAR2
SCHEMBL8669692 0.86 ATM (0.60) TSHRALDH1A1CYP3A4ATMHCAR2
SCHEMBL21436777 0.85 TSHR (0.69) TSHRALDH1A1CYP3A4ATMHCAR2
SCHEMBL22584823 0.85 TSHR (0.69) TSHRALDH1A1CYP3A4ATMHCAR2
SCHEMBL5857260 0.84 TSHR (0.56) TSHRALDH1A1CYP3A4ATMHCAR2
SCHEMBL9185807 0.84 TSHR (0.56) TSHRALDH1A1CYP3A4ATMHCAR2
SCHEMBL5857249 0.84 TSHR (0.56) TSHRALDH1A1CYP3A4ATMHCAR2
SCHEMBL25174772 0.84 ATM (0.64) TSHRALDH1A1CYP3A4ATMHCAR2
SCHEMBL20875241 0.84 ATM (0.58) TSHRALDH1A1CYP3A4ATMHCAR2
SCHEMBL28872434 0.84 ATM (0.58) TSHRALDH1A1CYP3A4ATMHCAR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5639546-A CURED LAYER OF A CROSSLINKED POLYMER MATRIX AND DISPERSED COLLOIDAL METAL OXIDE PARTICLES MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1997-06-17 US disclosed
EP-0475592-A2 Coated article having improved adhesion to organic coatings MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1992-03-18 EP disclosed
US-4885332-A WITH POLYACRYLOYL MONOMER AND FREE RADICAL INITIATOR MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1989-12-05 US disclosed
EP-0337695-A2 Abrasion resistant coatings comprising silicon dioxide dispersions MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1989-10-18 EP disclosed