SCHEMBL7573117

SCHEMBL7573117

CC(C)CC#CCOS(C)(=O)=O

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.36
KDM4E B2RXH2 1/20 0.36
USP2 O75604 1/20 0.36
LMNA P02545 1/20 0.36
MMP9 P14780 1/20 0.36
ALOX15 P16050 1/20 0.36
TSHR P16473 1/20 0.36

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
SCHEMBL499731 0.83 USP2 (0.48) ALDH1A1KDM4EUSP2LMNAMMP9
SCHEMBL7574075 0.82 KDM4E (0.32) ALDH1A1KDM4EUSP2LMNAMMP9
SCHEMBL7571703 0.76 ALDH1A1 (0.37) ALDH1A1KDM4EUSP2LMNAMMP9
SCHEMBL576900 0.75 USP2 (0.40) ALDH1A1KDM4EUSP2LMNAMMP9
SCHEMBL6165681 0.75 USP2 (0.40) ALDH1A1KDM4EUSP2LMNAMMP9
SCHEMBL2105323 0.74 USP2 (0.43) ALDH1A1KDM4EUSP2LMNAMMP9
SCHEMBL16599472 0.73 KDM4E (0.39) ALDH1A1KDM4EUSP2LMNAMMP9
SCHEMBL576641 0.72
SCHEMBL12445283 0.71 KDM4E (0.37) ALDH1A1KDM4EUSP2LMNAMMP9
SCHEMBL11754274 0.71 KDM4E (0.37) ALDH1A1KDM4EUSP2LMNAMMP9

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-0810199-B1 Method for producing propargylamine compounds SUMITOMO CHEMICAL CO (JP) 2002-09-25 EP disclosed
US-5756769-A Method for producing propargylamine compounds SUMITOMO CHEMICAL COMPANY, LTD. (JP) 1998-05-26 US disclosed
EP-0810199-A1 Method for producing propargylamine compounds SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1997-12-03 EP disclosed