SCHEMBL28569142

SCHEMBL28569142

CCCOc1cccc(CCCCC(=O)OC)c1

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.58
CNR2 P34972 1/20 0.58
PPARA Q07869 4/20 0.55
PPARG P37231 2/20 0.55
HDAC1 Q13547 1/20 0.54
HDAC6 Q9UBN7 1/20 0.54
CYP2D6 P10635 6/20 0.54
KCNH2 Q12809 2/20 0.50
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
CA7 P43166 1/20 0.49
CA9 Q16790 1/20 0.49
CA14 Q9ULX7 1/20 0.49

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
SCHEMBL28589342 0.91 CYP2D6 (0.61) CNR1CNR2PPARAPPARGCYP2D6
SCHEMBL20945413 0.88 HDAC1 (0.56) CNR1CNR2PPARAPPARGHDAC1
SCHEMBL12255204 0.86 CYP2D6 (0.59) CNR1CNR2PPARAPPARGCYP2D6
SCHEMBL10235925 0.86 PPARA (0.58) CNR1CNR2PPARAPPARGHDAC1
SCHEMBL28569153 0.85 PPARA (0.55) CNR1CNR2PPARAPPARGHDAC1
SCHEMBL12698686 0.85 HDAC1 (0.72) HDAC1HDAC6
SCHEMBL27850002 0.84 CYP4F2 (0.56) CNR1CNR2PPARAPPARGHDAC1
SCHEMBL17320239 0.84 CNR1 (0.61) CNR1CNR2PPARAPPARGCYP2D6
SCHEMBL7421760 0.84 CYP4F2 (0.52) CNR1CNR2HDAC1HDAC6CYP2D6
SCHEMBL13463051 0.84 KDM4E (0.60) CNR1CNR2PPARAPPARGCYP2D6

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
CN-109096420-B Catalyst for olefin polymerization and olefin polymerization method 中国石油化工股份有限公司 2021-05-11 CN disclosed