SCHEMBL817610

SCHEMBL817610

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.40
ALDH1A1 P00352 2/20 0.40
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
CHRM2 P08172 2/20 0.34
CHRM4 P08173 2/20 0.34
CHRM5 P08912 2/20 0.34
CHRM1 P11229 2/20 0.34
CHRM3 P20309 2/20 0.34
GAA P10253 2/20 0.34
HSD17B10 Q99714 2/20 0.34
TP53 P04637 1/20 0.34
GPR35 Q9HC97 1/20 0.34
HTT P42858 1/20 0.34
GAPDH P04406 1/20 0.33
HSPA1A P0DMV8 1/20 0.33
PTPN7 P35236 1/20 0.33
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32

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
SCHEMBL818502 0.84 KDM4E (0.39) TSHRALDH1A1RAB9AHSD17B10HTT
SCHEMBL819412 0.82 ALDH1A1 (0.38) TSHRALDH1A1NPC1RAB9ACHRM2
SCHEMBL818317 0.80 ALDH1A1 (0.49) TSHRALDH1A1HSD17B10CYP3A4LMNA
SCHEMBL818057 0.79 ALDH1A1 (0.41) TSHRALDH1A1NPC1RAB9ACHRM2
SCHEMBL818880 0.78 TSHR (0.42) TSHRALDH1A1NPC1RAB9ACHRM2
SCHEMBL818661 0.78 ALDH1A1 (0.35) TSHRALDH1A1NPC1RAB9AHSD17B10
SCHEMBL816941 0.78 ALDH1A1 (0.43) TSHRALDH1A1NPC1RAB9ACHRM2
SCHEMBL818426 0.77 ALDH1A1 (0.43) TSHRALDH1A1NPC1RAB9AHSD17B10
SCHEMBL818845 0.76 TSHR (0.49) TSHRALDH1A1NPC1RAB9ATP53
SCHEMBL818805 0.69 ALDH1A1 (0.45) TSHRALDH1A1NPC1RAB9ACHRM2

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