SCHEMBL10600347

SCHEMBL10600347

C=C(C)C(=O)OCC(OC(=O)C(=C)C)Oc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.45
MTNR1A P48039 4/20 0.40
MTNR1B P49286 4/20 0.40
ELANE P08246 1/20 0.40
TDP1 Q9NUW8 2/20 0.39
POLB P06746 1/20 0.39
APEX1 P27695 1/20 0.39
HTT P42858 1/20 0.39
MAPT P10636 2/20 0.36
ALDH1A1 P00352 3/20 0.35
PPARG P37231 4/20 0.35
PPARA Q07869 4/20 0.35
CYP1A2 P05177 1/20 0.33
GAA P10253 1/20 0.33
CYP2C9 P11712 1/20 0.33
PKM P14618 1/20 0.33
CYP2C19 P33261 1/20 0.33
LMNA P02545 1/20 0.33
MAPK1 P28482 1/20 0.33

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 SCHEMBL737599 0.96 TSHR (0.41) TSHRMTNR1AMTNR1BELANETDP1
SCHEMBL28364684 0.88 MTNR1A (0.47) MTNR1AMTNR1BELANETDP1POLB
SCHEMBL690484 0.86 TSHR (0.42) TSHRMTNR1AMTNR1BELANETDP1
SCHEMBL28027574 0.85 MTNR1A (0.42) MTNR1AMTNR1BELANETDP1POLB
SCHEMBL1404301 0.85 MTNR1A (0.42) TSHRMTNR1AMTNR1BELANEMAPT
SCHEMBL1405869 0.83 MTNR1A (0.37) TSHRMTNR1AMTNR1BELANETDP1
SCHEMBL3013436 0.83 TSHR (0.41) TSHRMTNR1AMTNR1BELANETDP1
SCHEMBL17938235 0.82 TSHR (0.47) TSHRMTNR1AMTNR1BELANETDP1
SCHEMBL301505 0.82 TSHR (0.56) TSHRMTNR1AMTNR1BELANETDP1
SCHEMBL1524321 0.81 MTNR1A (0.35) MTNR1AMTNR1BELANETDP1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0115709-B1 READILY CURABLE COMPOSITION MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1989-03-01 EP disclosed
EP-0115709-A2 Readily curable composition MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1984-08-15 EP disclosed