SCHEMBL5263484

SCHEMBL5263484

CCCCOCC/C(=C/C#N)C(=O)O

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.37
ZDHHC20 Q5W0Z9 1/20 0.36
ATM Q13315 1/20 0.34
HCAR2 Q8TDS4 1/20 0.34
PTGES O14684 2/20 0.33
ALOX5 P09917 2/20 0.33
RARB P10826 1/20 0.33
CYP3A4 P08684 1/20 0.33
CES2 O00748 1/20 0.33
HPGD P15428 1/20 0.33
ALDH1A1 P00352 1/20 0.32
APEX1 P27695 2/20 0.32
PLA2G4B P0C869 1/20 0.31
RECQL P46063 1/20 0.31
PPARG P37231 1/20 0.31

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
SCHEMBL5263488 1.00 TSHR (0.37) TSHRZDHHC20ATMHCAR2PTGES
SCHEMBL1274716 0.98 TSHR (0.36) TSHRZDHHC20ATMHCAR2PTGES
SCHEMBL1275404 0.94 ZDHHC20 (0.40) ZDHHC20HCAR2CES2HPGDALDH1A1
SCHEMBL1275704 0.92 MEN1 (0.42) TSHRZDHHC20HCAR2CES2HPGD
SCHEMBL1274464 0.89 HCAR2 (0.30) HCAR2
SCHEMBL1275372 0.86 ALDH1A1 (0.37) TSHRALDH1A1APEX1
SCHEMBL1275293 0.85 ALDH1A1 (0.36) TSHRALDH1A1
SCHEMBL1274486 0.85 CES2 (0.41) TSHRZDHHC20ATMHCAR2RARB
SCHEMBL18486877 0.85 ALDH1A1 (0.34) TSHRALDH1A1
SCHEMBL147780 0.83 CES1 (0.40) TSHRCES2ALDH1A1APEX1PPARG

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-0886507-B2 MONOMERIC COMPOSITIONS EFFECTIVE AS WOUND CLOSURE DEVICES ETHICON INC (US) 2013-03-06 EP claimed
EP-0886507-B1 MONOMERIC COMPOSITIONS EFFECTIVE AS WOUND CLOSURE DEVICES CLOSURE MEDICAL CORP (US) 2007-09-26 EP claimed
US-20180271505-A1 Scaffolds for Joining Layers of Tissue at Discrete Points ETHICON, INC. 2018-09-27 US disclosed