SCHEMBL28569153

SCHEMBL28569153

CCOc1cccc(CCCC(=O)OC)c1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 3/20 0.55
PPARG P37231 2/20 0.55
MTNR1A P48039 2/20 0.51
MTNR1B P49286 2/20 0.51
HDAC1 Q13547 1/20 0.51
HDAC6 Q9UBN7 1/20 0.51
CYP2D6 P10635 3/20 0.51
SMN1; SMN2 Q16637 1/20 0.49
CHRM2 P08172 1/20 0.49
CHRM1 P11229 1/20 0.49
CHRM3 P20309 1/20 0.49
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
CA7 P43166 1/20 0.48
CA9 Q16790 1/20 0.48
CA14 Q9ULX7 1/20 0.48
CNR1 P21554 1/20 0.47
CNR2 P34972 1/20 0.47
KCNH2 Q12809 1/20 0.47

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 0.89 CYP2D6 (0.61) PPARAPPARGCYP2D6CNR1CNR2
SCHEMBL28262492 0.87 HDAC1 (0.66) MTNR1AMTNR1BHDAC1HDAC6CHRM2
SCHEMBL22526165 0.85 PPARA (0.55) PPARAPPARGMTNR1AMTNR1BHDAC1
SCHEMBL28569142 0.85 CNR1 (0.58) PPARAPPARGHDAC1HDAC6CYP2D6
Phenyl Propionic Acid SCHEMBL28541991 0.84 FFAR1 (0.57) PPARAPPARGSMN1; SMN2
SCHEMBL28575916 0.83 FFAR1 (0.58) MTNR1AMTNR1BHDAC1HDAC6
SCHEMBL12698686 0.82 HDAC1 (0.72) MTNR1AMTNR1BHDAC1HDAC6CHRM2
SCHEMBL12549303 0.82 HTT (0.57)
SCHEMBL2767480 0.82 SMN1; SMN2 (0.53) PPARAPPARGCYP2D6SMN1; SMN2CHRM2
SCHEMBL12255204 0.82 CYP2D6 (0.59) PPARAPPARGCYP2D6CNR1CNR2

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-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 claimed
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