SCHEMBL9345834

SCHEMBL9345834

C=C(C)C(=O)OCCCCCOC(=O)C(=C)C.OCC(CO)(CO)CO

nearest known ligand 0.67

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.67
POLB P06746 1/20 0.50
APEX1 P27695 1/20 0.50
HTT P42858 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
THRB P10828 1/20 0.48
ALDH1A1 P00352 5/20 0.38
CYP3A4 P08684 2/20 0.36
NAAA Q02083 1/20 0.34
TP53 P04637 1/20 0.33
MAPK1 P28482 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HIF1A Q16665 1/20 0.33
RAD52 P43351 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
EPHX1 P07099 1/20 0.32
ACHE P22303 6/20 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
SCHEMBL5607699 0.88 TSHR (0.83) TSHRPOLBAPEX1HTTTDP1
SCHEMBL22554413 0.88 TSHR (0.83) TSHRPOLBAPEX1HTTTDP1
SCHEMBL22554423 0.88 TSHR (0.83) TSHRPOLBAPEX1HTTTDP1
SCHEMBL22023212 0.88 TSHR (0.83) TSHRPOLBAPEX1HTTTDP1
SCHEMBL22554404 0.88 TSHR (0.83) TSHRPOLBAPEX1HTTTDP1
SCHEMBL22554406 0.88 TSHR (0.83) TSHRPOLBAPEX1HTTTDP1
SCHEMBL22554400 0.88 TSHR (0.83) TSHRPOLBAPEX1HTTTDP1
SCHEMBL22554429 0.88 TSHR (0.83) TSHRPOLBAPEX1HTTTDP1
SCHEMBL22554427 0.88 TSHR (0.83) TSHRPOLBAPEX1HTTTDP1
SCHEMBL3502350 0.88 TSHR (0.83) TSHRPOLBAPEX1HTTTDP1

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-0343666-B1 Correct-reading images from photopolymer electrographic master DU PONT (US) 1994-08-03 EP disclosed
US-4897327-A Correct-reading images from photopolymer electrographic master E. I. DU PONT DE NEMOURS AND COMPANY (US) 1990-01-30 US disclosed
EP-0343666-A2 Correct-reading images from photopolymer electrographic master E.I. DU PONT DE NEMOURS AND COMPANY (US) 1989-11-29 EP disclosed