SCHEMBL26662014

SCHEMBL26662014

C=C(C)C(=O)OCCCCCCNC=O

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.61
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 0.44
ADH1B P00325 3/20 0.42
ADH1A P07327 3/20 0.42
ADH7 P40394 3/20 0.42
ADH1C P00326 2/20 0.42
EPHX1 P07099 2/20 0.42
ADH4 P08319 1/20 0.42
ALDH1A1 P00352 3/20 0.38
CYP3A4 P08684 1/20 0.37
ACHE P22303 7/20 0.36

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
SCHEMBL9313460 1.00 TSHR (0.61) TSHRPOLBAPEX1HTTTDP1
SCHEMBL14390475 0.98 TSHR (0.58) TSHRPOLBAPEX1HTTTDP1
SCHEMBL9313454 0.95 TSHR (0.53) TSHRPOLBAPEX1HTTTDP1
SCHEMBL1086964 0.87 THRB (0.48) TSHRPOLBAPEX1HTTTDP1
SCHEMBL22554413 0.83 TSHR (0.83) TSHRPOLBAPEX1HTTTDP1
SCHEMBL22023212 0.83 TSHR (0.83) TSHRPOLBAPEX1HTTTDP1
SCHEMBL22554404 0.83 TSHR (0.83) TSHRPOLBAPEX1HTTTDP1
SCHEMBL22554429 0.83 TSHR (0.83) TSHRPOLBAPEX1HTTTDP1
SCHEMBL22554400 0.83 TSHR (0.83) TSHRPOLBAPEX1HTTTDP1
SCHEMBL22554406 0.83 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4148040-B1 ONE POT SYNTHESIS OF UREA (METH)ACRYLATES EVONIK OPERATIONS GMBH (DE) 2023-11-01 EP disclosed