SCHEMBL7096809

SCHEMBL7096809

C=C(C)C(=O)OCC(=O)OC(=O)/C=C\C(=O)OC(=O)COC(=O)C(=C)C

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.42
THRB P10828 1/20 0.40
ALDH1A1 P00352 3/20 0.38
HCAR2 Q8TDS4 2/20 0.31
ATM Q13315 1/20 0.31
POLB P06746 1/20 0.30
APEX1 P27695 1/20 0.30
HTT P42858 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
KEAP1 Q14145 1/20 0.30
NFE2L2 Q16236 1/20 0.30

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
SCHEMBL7096811 0.93 HCAR2 (0.43) TSHRTHRBALDH1A1HCAR2POLB
SCHEMBL865331 0.86 TSHR (0.50) TSHRTHRBALDH1A1POLBAPEX1
SCHEMBL865332 0.82 TSHR (0.47) TSHRTHRBALDH1A1POLBAPEX1
SCHEMBL17240329 0.82 TSHR (0.47) TSHRTHRBALDH1A1POLBAPEX1
SCHEMBL7096813 0.79 HCAR2 (0.47) TSHRTHRBALDH1A1HCAR2ATM
SCHEMBL10714365 0.78 TSHR (0.44) TSHRTHRBALDH1A1POLBAPEX1
SCHEMBL1428431 0.77 ALDH1A1 (0.48) TSHRTHRBALDH1A1HCAR2ATM
SCHEMBL8610770 0.77 ALDH1A1 (0.48) TSHRTHRBALDH1A1HCAR2ATM
SCHEMBL17240327 0.76 TSHR (0.45) TSHRTHRBALDH1A1POLBAPEX1
SCHEMBL4647263 0.76 TSHR (0.41) TSHRTHRBALDH1A1

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-1272581-A2 CURABLE POLYMERIC COMPOSITIONS SARTOMER COMPANY, INC. (US) 2003-01-08 EP disclosed
WO-2001057094-A2 CURABLE POLYMERIC COMPOSITIONS SARTOMER COMPANY, INC. (US) 2001-08-09 WO disclosed