SCHEMBL4457666

SCHEMBL4457666

O=C(OCC1CCC23OC2(C1)O3)C1CCCCC1

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.35
TP53 P04637 1/20 0.34
CYP3A4 P08684 1/20 0.34
LMNA P02545 1/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
ADRB2 P07550 1/20 0.31
ADRB1 P08588 1/20 0.31
ADRB3 P13945 1/20 0.31

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
SCHEMBL1032543 0.85 LMNA (0.40) ALDH1A1TP53CYP3A4LMNAMEN1
SCHEMBL312981 0.75 LMNA (0.53) ALDH1A1TP53CYP3A4LMNAMEN1
SCHEMBL15911845 0.75 LMNA (0.48) ALDH1A1TP53CYP3A4LMNAMEN1
SCHEMBL22608837 0.72 TP53 (0.31) TP53CYP3A4
Bicarbonate SCHEMBL7187882 0.72 SLC1A3 (0.31) LMNA
SCHEMBL11281608 0.71 LMNA (0.53) ALDH1A1TP53CYP3A4LMNAADRB2
SCHEMBL14422655 0.71 LMNA (0.53) ALDH1A1TP53CYP3A4LMNAADRB2
SCHEMBL28219364 0.71 LMNA (0.38) LMNA
SCHEMBL8358990 0.71 TP53 (0.41) TP53CYP3A4LMNAMEN1KMT2A
SCHEMBL8664773 0.69 LMNA (0.50) ALDH1A1TP53CYP3A4LMNAADRB2

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-1650259-B1 VINYL ETHER CURING COMPOSITION ADEKA CORP (JP) 2015-07-15 EP disclosed
US-7595357-B2 Vinyl ether curing composition ADEKA CORPORATION (JP) 2009-09-29 US disclosed
US-20060178454-A1 Vinyl ether curing composition ASAHI DENKA CO., LTD. (JP) 2006-08-10 US disclosed
EP-1650259-A1 VINYL ETHER CURING COMPOSITION Asahi Denka Co., Ltd. (JP) 2006-04-26 EP disclosed