SCHEMBL13079446

SCHEMBL13079446

CC(COCCOCC(C)(C)C)OCCOS(C)(=O)=O

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.34
USP2 O75604 1/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
MMP9 P14780 1/20 0.34
ALOX15 P16050 1/20 0.34
TSHR P16473 1/20 0.34
TDP1 Q9NUW8 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
SCHEMBL12119421 0.87 ALDH1A1 (0.41) KDM4EUSP2ALDH1A1LMNAMMP9
SCHEMBL25779307 0.78 LMNA (0.40) KDM4EUSP2ALDH1A1LMNAMMP9
SCHEMBL14778772 0.74 ALDH1A1 (0.43) KDM4EUSP2ALDH1A1LMNAMMP9
SCHEMBL26926934 0.72 KDM4E (0.34) KDM4EUSP2ALDH1A1LMNAMMP9
SCHEMBL13369382 0.70 ALDH1A1 (0.46) KDM4EUSP2ALDH1A1LMNAMMP9
SCHEMBL16372871 0.69 USP2 (0.50) KDM4EUSP2ALDH1A1LMNAMMP9
SCHEMBL16373067 0.69 USP2 (0.50) KDM4EUSP2ALDH1A1LMNAMMP9
SCHEMBL13936320 0.69 KDM4E (0.41) KDM4EUSP2ALDH1A1LMNAMMP9
SCHEMBL27129729 0.69 CA1 (0.39) TSHR
SCHEMBL27129870 0.69 CA1 (0.39) ALDH1A1ALOX15TSHR

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
US-8282959-B2 Branched end reactants and polymeric hydrogel tissue adhesives therefrom ACTAMAX SURGICAL MATERIALS, LLC (US) 2012-10-09 US disclosed
US-20100086678-A1 BRANCHED END REACTANTS AND POLYMERIC HYDROGEL TISSUE ADHESIVES THEREFROM E.I.DUPONT DE NEMOURS AND COMPANY (DE) 2010-04-08 US disclosed