SCHEMBL9717896

SCHEMBL9717896

O=C(/C=C/C(=O)OCCCOCCCO)OCCCOCCCO

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.54
HCAR2 Q8TDS4 6/20 0.47
APP P05067 2/20 0.41
MAPT P10636 1/20 0.41
RAB9A P51151 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
TSHR P16473 5/20 0.40
ALDH1A1 P00352 3/20 0.40
TP53 P04637 2/20 0.40
HIF1A Q16665 2/20 0.40
CYP3A4 P08684 1/20 0.40
HSD17B10 Q99714 1/20 0.40
HPGD P15428 1/20 0.36
GAA P10253 1/20 0.36
CYP4F2 P78329 1/20 0.36
CYP4A11 Q02928 1/20 0.36
ESR1 P03372 1/20 0.35

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
SCHEMBL217268 0.91 ATM (0.62) ATMHCAR2APPMAPTRAB9A
SCHEMBL769453 0.91 ATM (0.62) ATMHCAR2APPMAPTRAB9A
SCHEMBL301456 0.91 ATM (0.62) ATMHCAR2APPMAPTRAB9A
SCHEMBL11804924 0.88 ATM (0.42) ATMHCAR2APPMAPTRAB9A
SCHEMBL8676091 0.84 ATM (0.60) ATMHCAR2APPMAPTRAB9A
SCHEMBL2813246 0.84 ATM (0.60) ATMHCAR2APPMAPTRAB9A
SCHEMBL2811731 0.84 ATM (0.60) ATMHCAR2APPMAPTRAB9A
SCHEMBL12200482 0.83 TSHR (0.63) ATMHCAR2APPTSHRALDH1A1
SCHEMBL12200486 0.83 TSHR (0.63) ATMHCAR2APPTSHRALDH1A1
SCHEMBL13105984 0.83 TSHR (0.63) ATMHCAR2APPTSHRALDH1A1

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
EP-0186165-B1 UNSATURATED POLYESTER RESIN COMPOSITIONS KANEGAFUCHI KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1992-03-25 EP disclosed
US-4710420-A CROSSLINKED BLEND OF HARD UNSATURATED POLYESTER AND SOFT UNSATURATED POLYESTER ETHER COPOLYMER KANEGAFUCHI KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1987-12-01 US disclosed
EP-0186165-A2 Unsaturated polyester resin compositions KANEGAFUCHI KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1986-07-02 EP disclosed