SCHEMBL818206

SCHEMBL818206

CC(C)COC(=O)C1=CCC(C)CC=C1C(=O)OCC(C)C

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.47
ALDH1A1 P00352 4/20 0.47
MAPT P10636 2/20 0.36
CACNA1F O60840 3/20 0.36
CACNA1D Q01668 3/20 0.36
CACNA1S Q13698 3/20 0.36
CACNA1C Q13936 3/20 0.36
NPC1 O15118 3/20 0.36
RAB9A P51151 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
HTT P42858 2/20 0.36
PLA2G1B P04054 1/20 0.35
ATG4B Q9Y4P1 1/20 0.35
ADORA2B P29275 4/20 0.35
ADORA1 P30542 1/20 0.35
MCL1 Q07820 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
KDM4E B2RXH2 1/20 0.35

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
SCHEMBL818456 0.80 CA12 (0.44) TSHRALDH1A1MAPTRAB9AHTT
SCHEMBL817707 0.79 TSHR (0.50) TSHRALDH1A1MAPTCACNA1FCACNA1D
SCHEMBL818117 0.77 ALDH1A1 (0.46) TSHRALDH1A1MAPTNPC1RAB9A
SCHEMBL818848 0.77 CA12 (0.44) TSHRALDH1A1MAPTNPC1RAB9A
SCHEMBL818063 0.76 ALDH1A1 (0.41) TSHRALDH1A1MAPTCACNA1FCACNA1D
SCHEMBL819104 0.76 ALDH1A1 (0.47) TSHRALDH1A1MAPTCACNA1FCACNA1D
SCHEMBL818240 0.76 ALDH1A1 (0.47) TSHRALDH1A1MAPTCACNA1FCACNA1D
SCHEMBL817412 0.75 TSHR (0.49) TSHRALDH1A1SMN1; SMN2TDP1
SCHEMBL817072 0.74 CA1 (0.39) TSHRALDH1A1MAPTNPC1RAB9A
SCHEMBL818797 0.73 TSHR (0.50) TSHRALDH1A1MAPTNPC1RAB9A

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