SCHEMBL10009844

SCHEMBL10009844

COC(=O)C(=C(C(=O)OC)C1CCCC1)C1CCCCC1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.46
CES1 P23141 1/20 0.46
HDAC8 Q9BY41 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
NPSR1 Q6W5P4 1/20 0.39
TSHR P16473 2/20 0.38
ALDH1A1 P00352 1/20 0.38
EPHX1 P07099 2/20 0.38
RECQL P46063 1/20 0.38
POLB P06746 1/20 0.37
MAPK1 P28482 1/20 0.37
HSD17B10 Q99714 1/20 0.36
NAAA Q02083 1/20 0.36
EPHX2 P34913 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
SCHEMBL10009607 1.00 CES2 (0.46) CES2CES1HDAC8HDAC6SMN1; SMN2
SCHEMBL10009603 1.00 CES2 (0.46) CES2CES1HDAC8HDAC6SMN1; SMN2
SCHEMBL10009837 1.00 CES2 (0.46) CES2CES1HDAC8HDAC6SMN1; SMN2
SCHEMBL10009480 0.98 CES2 (0.42) CES2CES1HDAC8HDAC6SMN1; SMN2
SCHEMBL10009476 0.98 CES2 (0.42) CES2CES1HDAC8HDAC6SMN1; SMN2
SCHEMBL29117644 0.89 CES2 (0.41) CES2CES1HDAC8HDAC6SMN1; SMN2
SCHEMBL151735 0.89 CES2 (0.41) CES2CES1HDAC8HDAC6SMN1; SMN2
SCHEMBL27232994 0.89 CES2 (0.41) CES2CES1HDAC8HDAC6SMN1; SMN2
SCHEMBL20925010 0.87 SMN1; SMN2 (0.40) CES2CES1HDAC8HDAC6SMN1; SMN2
SCHEMBL10009957 0.87 SMN1; SMN2 (0.40) CES2CES1HDAC8HDAC6SMN1; SMN2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120172551-A1 SOLID CATALYST FOR PROPYLENE POLYMERIZATION AND A METHOD FOR PREPARATION OF POLYPROPYLENE USING THE SAME SAMSUNG TOTAL PETROCHEMICALS CO., LTD. (KR) 2012-07-05 US disclosed