SCHEMBL8638181

SCHEMBL8638181

O=C(OCCCOC(=O)c1ccc(O)cc1)c1ccc(O)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 4/20 0.79
LMNA P02545 4/20 0.79
TSHR P16473 3/20 0.79
CYP2D6 P10635 2/20 0.79
SMN1; SMN2 Q16637 2/20 0.79
CYP1A2 P05177 2/20 0.79
MAPK1 P28482 2/20 0.79
CYP2C19 P33261 2/20 0.79
NR1H2 P55055 1/20 0.79
RNASEL Q05823 1/20 0.79
TDP1 Q9NUW8 2/20 0.71
ALDH1A1 P00352 2/20 0.71
CHRM1 P11229 1/20 0.71
SLC6A2 P23975 1/20 0.71
KDR P35968 1/20 0.71
ESR2 Q92731 2/20 0.64
MEN1 O00255 2/20 0.64
KMT2A Q03164 2/20 0.64
CA12 O43570 2/20 0.64
CA1 P00915 2/20 0.64

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
SCHEMBL2880231 0.96 ESR1 (0.79) ESR1LMNATSHRCYP2D6SMN1; SMN2
SCHEMBL10760934 0.94 ESR1 (0.76) ESR1LMNATSHRCYP2D6SMN1; SMN2
SCHEMBL8638754 0.94 ESR1 (0.76) ESR1LMNATSHRCYP2D6SMN1; SMN2
SCHEMBL1548913 0.94 ESR1 (0.76) ESR1LMNATSHRCYP2D6SMN1; SMN2
SCHEMBL9674690 0.94 ESR1 (0.76) ESR1LMNATSHRCYP2D6SMN1; SMN2
SCHEMBL5152566 0.92 TDP1 (0.75) ESR1LMNATSHRCYP2D6SMN1; SMN2
SCHEMBL132567 0.91 ESR1 (0.77) ESR1LMNATSHRCYP2D6SMN1; SMN2
SCHEMBL9513979 0.90 ESR1 (0.71) ESR1LMNATSHRCYP2D6SMN1; SMN2
Butylparaben SCHEMBL5789201 0.88 ESR1 (1.00) ESR1LMNATSHRCYP2D6SMN1; SMN2
Butylparaben SCHEMBL3647 0.88 ESR1 (1.00) ESR1LMNATSHRCYP2D6SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0605149-B1 Recording sheet JUJO PAPER CO LTD (JP) 1998-04-22 EP disclosed
US-5482913-A CARBONATE TYPE BLOCKED COLOR DEVELOPER, LASER RECORDING NIPPON PAPER INDUSTRIES, CO., LTD. (JP) 1996-01-09 US disclosed
EP-0605149-A2 Recording sheet NIPPON PAPER INDUSTRIES CO., LTD. (JP) 1994-07-06 EP disclosed
US-5142017-A Optical anisotropy in melt SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1992-08-25 US disclosed
EP-0410222-A2 Aromatic polyester and a process for producing the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1991-01-30 EP disclosed