SCHEMBL8401122

SCHEMBL8401122

C(=C/c1ccccc1CC1CO1)\O/C=C/c1ccccc1CC1CO1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.36
ALDH1A1 P00352 2/20 0.33
GLA P06280 1/20 0.33
TP53 P04637 1/20 0.32
CYP3A4 P08684 1/20 0.32
TSHR P16473 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HIF1A Q16665 1/20 0.32
MGLL Q99685 1/20 0.31
CDK4 P11802 1/20 0.31
CCND1 P24385 1/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL2042737 0.77 ALDH1A1 (0.36) TDP1ALDH1A1GLATP53CYP3A4
SCHEMBL11383418 0.77 TDP1 (0.43) TDP1ALDH1A1GLATP53TSHR
SCHEMBL1774349 0.76 PTGER3 (0.52) MGLL
SCHEMBL3110066 0.76 TDP1 (0.34) TDP1ALDH1A1GLATP53CYP3A4
Water SCHEMBL1685815 0.76 ALDH1A1 (0.35) TDP1ALDH1A1GLATP53CYP3A4
Methane SCHEMBL6122998 0.76 ALDH1A1 (0.35) TDP1ALDH1A1GLATP53CYP3A4
SCHEMBL6480647 0.75 TDP1 (0.45) TDP1ALDH1A1GLATP53CYP3A4
SCHEMBL29826970 0.75 TDP1 (0.45) TDP1ALDH1A1GLATP53CYP3A4
SCHEMBL11267314 0.73 HPGD (0.40) TDP1ALDH1A1CYP3A4TSHRMEN1
SCHEMBL3194425 0.73 MAPT (0.47) ALDH1A1CYP3A4SMN1; SMN2MEN1KMT2A

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
EP-0540027-B1 Compositions, expoxidized compositions, a heat-curable resin composition, an epoxy resin composition, radically polymerized composition, a curable resin composition and a polymer having epoxy groups DAICEL CHEM (JP) 1999-06-09 EP disclosed
EP-0859021-A2 Epoxidised compositions DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 1998-08-19 EP disclosed
US-5494977-A A CURABLE EPOXIDIZED POLYESTER, ADDITION POLYMER OR ADDITION-CONDENSATION COPOLYMER FORMED WITH AN ANHYDRIDE STARTING COMPOUND; SOFTENING TEMPERATURE; INKS, COATINGS, VARNISHES DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 1996-02-27 US disclosed
EP-0540027-A2 Compositions, expoxidized compositions, a heat-curable resin composition, an epoxy resin composition, radically polymerized composition, a curable resin composition and a polymer having epoxy groups DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 1993-05-05 EP disclosed