SCHEMBL817707

SCHEMBL817707

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.50
ALDH1A1 P00352 3/20 0.50
HDAC1 Q13547 1/20 0.39
HDAC2 Q92769 1/20 0.39
MAPT P10636 3/20 0.38
CHRM2 P08172 2/20 0.38
CHRM4 P08173 2/20 0.38
CHRM5 P08912 2/20 0.38
CHRM1 P11229 2/20 0.38
CHRM3 P20309 2/20 0.38
PLA2G1B P04054 1/20 0.37
ATG4B Q9Y4P1 1/20 0.37
ADORA2B P29275 4/20 0.36
ADORA1 P30542 1/20 0.36
MCL1 Q07820 1/20 0.36
NPC1 O15118 1/20 0.36
HTT P42858 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TDP1 Q9NUW8 1/20 0.36

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
SCHEMBL818063 0.79 ALDH1A1 (0.41) TSHRALDH1A1MAPTCHRM2CHRM4
SCHEMBL818240 0.79 ALDH1A1 (0.47) TSHRALDH1A1MAPTCHRM2CHRM4
SCHEMBL818206 0.79 TSHR (0.47) TSHRALDH1A1MAPTPLA2G1BATG4B
SCHEMBL820004 0.76 ALDH1A1 (0.48) TSHRALDH1A1HDAC1HDAC2MAPT
SCHEMBL304997 0.76 ALDH1A1 (0.52) TSHRALDH1A1HDAC1HDAC2MAPT
SCHEMBL819114 0.75 ALDH1A1 (0.44) TSHRALDH1A1MAPTPLA2G1BATG4B
SCHEMBL817302 0.75 ALDH1A1 (0.44) TSHRALDH1A1MAPTPLA2G1BATG4B
SCHEMBL819445 0.75 ALDH1A1 (0.44) TSHRALDH1A1MAPTCHRM2CHRM4
SCHEMBL818926 0.75 CA12 (0.42) TSHRALDH1A1NPC1HTTRAB9A
SCHEMBL10641325 0.73 TSHR (0.53) TSHRALDH1A1MAPTPLA2G1BATG4B

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