SCHEMBL9007754

SCHEMBL9007754

C=CC(=O)OC(C)C(CCCC)OC(=O)C=C

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.49
HPGD P15428 1/20 0.46
THRB P10828 3/20 0.36
CTSK P43235 5/20 0.36
LMNA P02545 2/20 0.33
CA2 P00918 2/20 0.33
THRA P10827 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP3A4 P08684 1/20 0.33
CA1 P00915 1/20 0.33
ZDHHC20 Q5W0Z9 1/20 0.33
ZDHHC2 Q9UIJ5 1/20 0.33
ATM Q13315 1/20 0.32
MAPK1 P28482 1/20 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
Ethylene Glycol SCHEMBL6423784 0.95 TSHR (0.45) TSHRHPGDTHRBCTSKLMNA
SCHEMBL28841477 0.95 TSHR (0.44) TSHRHPGDTHRBLMNATHRA
SCHEMBL4911504 0.93 TSHR (0.43) TSHRHPGDTHRBLMNATHRA
SCHEMBL8857632 0.88 TSHR (0.50) TSHRHPGDTHRBCTSKLMNA
SCHEMBL11032303 0.86 TSHR (0.51) TSHRHPGDTHRBCTSKCA2
SCHEMBL26108854 0.85 PTPN1 (0.43) TSHRHPGDTHRBCTSK
SCHEMBL23494192 0.84 TSHR (0.50) TSHRHPGDTHRBCTSKLMNA
SCHEMBL10398482 0.83 TSHR (0.49) TSHRHPGDTHRBCTSKLMNA
SCHEMBL10926187 0.81 TSHR (0.47) TSHRHPGDTHRBCTSKCA2
SCHEMBL29191769 0.81 TSHR (0.51) TSHRHPGDTHRBCTSKCA2

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-0429009-B1 Method of making shaped articles MITSUBISHI RAYON CO (JP) 1996-10-23 EP disclosed
US-5503897-A POLYMER LAYER DERIVED FROM MULTIFUNCTIONAL MONOMER(S) HAVING AT LEAST TWO (METH)ACRYLOYLOXY GROUPS PER MOLECULE; UV RADIATION THROUGH CONTROLLING MATERIAL; ALKALI TREATMENT MITSUBISHI RAYON CO., LTD. (JP) 1996-04-02 US disclosed
EP-0429009-A2 Method of making shaped articles MITSUBISHI RAYON CO., LTD. (JP) 1991-05-29 EP disclosed