SCHEMBL7096811

SCHEMBL7096811

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

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 9/20 0.43
TSHR P16473 4/20 0.38
THRB P10828 1/20 0.36
ALDH1A1 P00352 5/20 0.34
TDP1 Q9NUW8 2/20 0.33
KDM4E B2RXH2 1/20 0.33
MAPT P10636 1/20 0.33
POLB P06746 1/20 0.31
APEX1 P27695 1/20 0.31
HTT P42858 1/20 0.31
ALOX15 P16050 1/20 0.30
RECQL P46063 1/20 0.30
HSD17B10 Q99714 1/20 0.30
TP53 P04637 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
SCHEMBL7096809 0.93 TSHR (0.42) HCAR2TSHRTHRBALDH1A1TDP1
SCHEMBL7096813 0.87 HCAR2 (0.47) HCAR2TSHRTHRBALDH1A1TDP1
SCHEMBL28061604 0.85 TSHR (0.39) TSHRTHRBALDH1A1
Maleic Acid SCHEMBL5086355 0.80 HCAR2 (0.48) HCAR2TSHRALDH1A1TDP1KDM4E
SCHEMBL4017018 0.80 HCAR2 (0.48) HCAR2TSHRALDH1A1TDP1KDM4E
SCHEMBL7949238 0.80 HCAR2 (0.48) HCAR2TSHRALDH1A1TDP1KDM4E
SCHEMBL28369736 0.80 HCAR2 (0.54) HCAR2TSHRTHRBALDH1A1TDP1
SCHEMBL865331 0.80 TSHR (0.50) TSHRTHRBALDH1A1TDP1POLB
SCHEMBL698817 0.77 HCAR2 (0.58) HCAR2TSHRTHRBALDH1A1TDP1
SCHEMBL194313 0.77 HCAR2 (0.58) HCAR2TSHRTHRBALDH1A1TDP1

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