SCHEMBL817302

SCHEMBL817302

CC1=CCC=C(C(=O)OCC(C)C)C(C(=O)OCC(C)C)=C1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.44
TSHR P16473 2/20 0.44
MAPT P10636 2/20 0.34
CACNA1F O60840 3/20 0.34
CACNA1D Q01668 3/20 0.34
CACNA1S Q13698 3/20 0.34
CACNA1C Q13936 3/20 0.34
GPR35 Q9HC97 1/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
ADORA2B P29275 4/20 0.33
ADORA1 P30542 1/20 0.33
MCL1 Q07820 1/20 0.33
PLA2G1B P04054 1/20 0.33
ATG4B Q9Y4P1 1/20 0.33
HTT P42858 2/20 0.33
ALOX12 P18054 1/20 0.33
POLB P06746 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL818486 0.83 TSHR (0.40) ALDH1A1TSHRMAPTSMN1; SMN2TDP1
SCHEMBL817764 0.79 ALDH1A1 (0.42) ALDH1A1TSHRMAPTSMN1; SMN2ADORA2B
SCHEMBL818164 0.77 TSHR (0.45) ALDH1A1TSHRSMN1; SMN2TDP1
SCHEMBL817432 0.76 TDP1 (0.35) TSHRMAPTPOLBTDP1KDM4E
SCHEMBL819124 0.76 TSHR (0.46) ALDH1A1TSHRMAPTPOLBNPC1
SCHEMBL819445 0.75 ALDH1A1 (0.44) ALDH1A1TSHRMAPTCACNA1FCACNA1D
SCHEMBL817707 0.75 TSHR (0.50) ALDH1A1TSHRMAPTCACNA1FCACNA1D
SCHEMBL818586 0.75 ALDH1A1 (0.48) ALDH1A1TSHRMAPTPOLBNPC1
SCHEMBL818240 0.72 ALDH1A1 (0.47) ALDH1A1TSHRMAPTCACNA1FCACNA1D
SCHEMBL818206 0.72 TSHR (0.47) ALDH1A1TSHRMAPTCACNA1FCACNA1D

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