SCHEMBL7096813

SCHEMBL7096813

C=C(C)C(=O)OC(=O)COC(=O)C=CC(=O)O

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 12/20 0.47
TSHR P16473 3/20 0.34
ALDH1A1 P00352 3/20 0.33
KDM4E B2RXH2 1/20 0.33
MAPT P10636 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
THRB P10828 1/20 0.33
ATM Q13315 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
SCHEMBL7096811 0.87 HCAR2 (0.43) HCAR2TSHRALDH1A1KDM4EMAPT
SCHEMBL4017018 0.80 HCAR2 (0.48) HCAR2TSHRALDH1A1KDM4EMAPT
Maleic Acid SCHEMBL5086355 0.80 HCAR2 (0.48) HCAR2TSHRALDH1A1KDM4EMAPT
SCHEMBL7949238 0.80 HCAR2 (0.48) HCAR2TSHRALDH1A1KDM4EMAPT
SCHEMBL28369736 0.80 HCAR2 (0.54) HCAR2TSHRALDH1A1KDM4EMAPT
SCHEMBL7096809 0.79 TSHR (0.42) HCAR2TSHRALDH1A1TDP1THRB
SCHEMBL10688851 0.78 HCAR2 (0.57) HCAR2TSHRALDH1A1KDM4EMAPT
SCHEMBL868206 0.78 HCAR2 (0.57) HCAR2TSHRALDH1A1KDM4EMAPT
SCHEMBL868207 0.78 HCAR2 (0.57) HCAR2TSHRALDH1A1KDM4EMAPT
Maleic Acid SCHEMBL8429487 0.78 ALDH1A1 (0.46) HCAR2TSHRALDH1A1KDM4EMAPT

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