SCHEMBL28574585

SCHEMBL28574585

CC=C(C1CCCC1)C1CCCC1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.38
CES1 P23141 1/20 0.38
NOS2 P35228 2/20 0.36
MGLL Q99685 1/20 0.33
CTSK P43235 1/20 0.32
GAA P10253 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
TSHR P16473 3/20 0.32
EPHX1 P07099 1/20 0.31
RECQL P46063 1/20 0.31
ALDH1A1 P00352 1/20 0.31
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA4 P22748 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL9173380 0.97 CES2 (0.43) CES2CES1NOS2MGLLCTSK
SCHEMBL27776497 0.97 CES2 (0.43) CES2CES1NOS2MGLLCTSK
SCHEMBL10701960 0.75 TSHR (0.35) TSHR
SCHEMBL15364717 0.71 MGLL (0.39) CES2CES1NOS2MGLLCTSK
SCHEMBL18597012 0.71
SCHEMBL11789278 0.71
SCHEMBL30604721 0.69 CES2 (0.36) CES2CES1MGLLCTSKHDAC8
SCHEMBL9876587 0.69 CES2 (0.41) CES2CES1NOS2MGLLCTSK
SCHEMBL2352505 0.69 CES2 (0.41) CES2CES1NOS2MGLLCTSK
SCHEMBL27992987 0.69 CES2 (0.41) CES2CES1NOS2MGLLCTSK

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
CN-112851892-A Preparation method of polypropylene with high melt strength 中国石油天然气股份有限公司 2021-05-28 CN claimed
CN-112851892-A Preparation method of polypropylene with high melt strength 中国石油天然气股份有限公司 2021-05-28 CN disclosed