SCHEMBL8400747

SCHEMBL8400747

CCc1cc(OC(C)=O)cc(C2(C)CCCCC2)c1O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLA P06280 2/20 0.46
TSHR P16473 1/20 0.46
ALOX12 P18054 1/20 0.46
NPSR1 Q6W5P4 2/20 0.41
HSD17B10 Q99714 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
ATM Q13315 1/20 0.41
TP53 P04637 2/20 0.37
GAA P10253 2/20 0.37
RARB P10826 4/20 0.37
RARG P13631 4/20 0.37
PTGDR Q13258 1/20 0.37
PTGDR2 Q9Y5Y4 1/20 0.37
ALOX5 P09917 2/20 0.36
RARA P10276 3/20 0.36
NR1H2 P55055 2/20 0.35
NR1H3 Q13133 2/20 0.35
PTPN1 P18031 3/20 0.34
KDM4E B2RXH2 1/20 0.34

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
SCHEMBL8400759 0.89 GLA (0.44) GLATSHRALOX12NPSR1HSD17B10
SCHEMBL8397200 0.84 TSHR (0.44) GLATSHRALOX12NPSR1HSD17B10
SCHEMBL8400776 0.84 ALOX5 (0.43) GLATSHRALOX12HSD17B10KMT2A
SCHEMBL8401630 0.81 GLA (0.39) GLATSHRALOX12NPSR1HSD17B10
SCHEMBL8401653 0.78 RARB (0.51) GLAGAARARBRARGPTGDR
SCHEMBL7786437 0.77 RARB (0.48) GLATSHRALOX12NPSR1HSD17B10
SCHEMBL13057610 0.77 CYP3A4 (0.47) GLAHSD17B10MEN1KMT2ATP53
SCHEMBL8399068 0.76 TSHR (0.41) GLATSHRALOX12NPSR1HSD17B10
SCHEMBL7940089 0.75 TSHR (0.46) GLATSHRALOX12NPSR1HSD17B10
SCHEMBL7933771 0.74 RARB (0.39) GLATSHRALOX12MEN1KMT2A

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-5914361-A IMPART HEAT STABILITY TO ORGANIC MATERIALS, INCLUDING POLYOLEFINS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1999-06-22 US disclosed
US-5889095-A OXYGEN AND HEAT RESISTANCE SUMITOMO CHEMICAL COMPANY, LTD. (JP) 1999-03-30 US disclosed