SCHEMBL819307

SCHEMBL819307

CC(C)COC(=O)C1=C(C(=O)OCC(C)C)C(Br)CCCC1Br

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.44
TSHR P16473 3/20 0.44
RAB9A P51151 3/20 0.40
MAPT P10636 2/20 0.37
CACNA1F O60840 3/20 0.37
CACNA1D Q01668 3/20 0.37
CACNA1S Q13698 3/20 0.37
CACNA1C Q13936 3/20 0.37
SMN1; SMN2 Q16637 3/20 0.36
HTT P42858 3/20 0.36
NPC1 O15118 2/20 0.36
ADORA2B P29275 4/20 0.36
ADORA1 P30542 1/20 0.36
MCL1 Q07820 1/20 0.36
TDP1 Q9NUW8 1/20 0.35
ALOX12 P18054 1/20 0.35
POLB P06746 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
SCHEMBL31296907 0.77 ALDH1A1 (0.50) ALDH1A1TSHRRAB9AMAPTCACNA1F
SCHEMBL13517497 0.74 ALDH1A1 (0.47) ALDH1A1TSHRRAB9AMAPTCACNA1F
SCHEMBL31296905 0.73 ALDH1A1 (0.50) ALDH1A1TSHRRAB9AMAPTCACNA1F
SCHEMBL13517021 0.71 ALDH1A1 (0.44) ALDH1A1TSHRRAB9AMAPTCACNA1F
SCHEMBL13822474 0.70 TSHR (0.47) ALDH1A1TSHRRAB9AMAPTCACNA1F
SCHEMBL10322321 0.69 ADRB2 (0.50) ALDH1A1TSHRRAB9AMAPTSMN1; SMN2
SCHEMBL234824 0.69 ALDH1A1 (0.50) ALDH1A1TSHRRAB9AMAPTCACNA1F
SCHEMBL1169704 0.69 TSHR (0.45) ALDH1A1TSHRRAB9ASMN1; SMN2TDP1
SCHEMBL13517643 0.69 ALDH1A1 (0.50) ALDH1A1TSHRRAB9AMAPTCACNA1F
SCHEMBL13517939 0.69 ALDH1A1 (0.46) ALDH1A1TSHRRAB9AMAPTCACNA1F

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