SCHEMBL9979433

SCHEMBL9979433

CC[C](C)C1CCCCCCCCC1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.39
CES1 P23141 1/20 0.39
HSD11B1 P28845 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA4 P22748 1/20 0.36
NAAA Q02083 1/20 0.35
SHBG P04278 1/20 0.35
MGLL Q99685 1/20 0.35
ALDH1A1 P00352 3/20 0.34
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
CTSK P43235 1/20 0.33
CYP1A2 P05177 1/20 0.33
TSHR P16473 3/20 0.32
EPHX1 P07099 1/20 0.32
RECQL P46063 1/20 0.32
NOS2 P35228 1/20 0.32
L3MBTL1 Q9Y468 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
SCHEMBL1192727 1.00 CES2 (0.39) CES2CES1HSD11B1CA1CA2
SCHEMBL435072 1.00 CES2 (0.39) CES2CES1HSD11B1CA1CA2
SCHEMBL1192739 1.00 CES2 (0.39) CES2CES1HSD11B1CA1CA2
SCHEMBL1193470 0.97
SCHEMBL1193091 0.92
SCHEMBL1193149 0.88
SCHEMBL1525318 0.79 CA1 (0.38) CES2CES1HSD11B1CA1CA2
SCHEMBL7994901 0.77
SCHEMBL27736231 0.76 CA1 (0.39) CES2CES1HSD11B1CA1CA2
SCHEMBL11126950 0.75 NAAA (0.43) CES2CES1CA1CA2CA4

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-8492468-B2 Polypropylene resin composition SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-07-23 US disclosed
US-20110301268-A1 POLYPROPYLENE RESIN COMPOSITION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-12-08 US disclosed