SCHEMBL817065

SCHEMBL817065

CCOC(=O)C1=CCCC(C)C=C1C(=O)OCC

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.38
KDM4E B2RXH2 2/20 0.38
TSHR P16473 1/20 0.37
RAB9A P51151 2/20 0.36
GAA P10253 1/20 0.36
CA12 O43570 3/20 0.35
CA1 P00915 3/20 0.35
CA2 P00918 3/20 0.35
CA7 P43166 3/20 0.35
CA9 Q16790 3/20 0.35
CA14 Q9ULX7 3/20 0.35
ESR1 P03372 1/20 0.35
ESR2 Q92731 1/20 0.35
CYP1A2 P05177 2/20 0.34
ALOX15 P16050 2/20 0.34
MEN1 O00255 1/20 0.34
MAPT P10636 1/20 0.34
KMT2A Q03164 1/20 0.34
NR1H2 P55055 1/20 0.34
NR1H3 Q13133 1/20 0.34

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
SCHEMBL818362 0.88 ALDH1A1 (0.40) LMNAKDM4ETSHRRAB9AGAA
SCHEMBL819046 0.84 TSHR (0.44) LMNAKDM4ETSHRRAB9AESR1
SCHEMBL818063 0.83 ALDH1A1 (0.41) TSHRRAB9AMAPTALDH1A1POLB
SCHEMBL818234 0.83 ALDH1A1 (0.46) LMNAKDM4ETSHRRAB9AESR1
SCHEMBL819397 0.81 CHRM3 (0.35) LMNAKDM4ETSHRRAB9AMAPT
SCHEMBL818614 0.81 LMNA (0.43) LMNAKDM4ETSHRRAB9AGAA
SCHEMBL817062 0.77 ALDH1A1 (0.37) LMNAKDM4ETSHRCA12CA1
SCHEMBL819891 0.77 TSHR (0.45) LMNAKDM4ETSHRGAACA12
SCHEMBL818456 0.74 CA12 (0.44) LMNAKDM4ETSHRRAB9AGAA
SCHEMBL31196992 0.73 TSHR (0.48) LMNAKDM4ETSHRGAACA12

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-8236908-B2 Components and catalysts for the polymerization of olefins SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-08-07 US disclosed
US-20110269927-A1 COMPONENTS AND CATALYSTS FOR THE POLYMERIZATION OF OLEFINS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-11-03 US disclosed