SCHEMBL817432

SCHEMBL817432

COC(=O)C1=CCC=C(C)C=C1C(=O)OC

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.35
CHRM3 P20309 2/20 0.33
MALT1 Q9UDY8 1/20 0.33
MAPT P10636 1/20 0.33
IDO1 P14902 1/20 0.33
PTPN1 P18031 1/20 0.33
LMNA P02545 2/20 0.33
CHRM2 P08172 1/20 0.33
CHRM4 P08173 1/20 0.33
CHRM5 P08912 1/20 0.33
THRB P10828 1/20 0.33
CHRM1 P11229 1/20 0.33
TSHR P16473 1/20 0.32
BLM P54132 1/20 0.32
MCOLN3 Q8TDD5 1/20 0.32
CA1 P00915 4/20 0.31
CA2 P00918 4/20 0.31
CA12 O43570 3/20 0.31
CA7 P43166 3/20 0.31
CA9 Q16790 3/20 0.31

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
SCHEMBL12889963 0.72 CHRM3 (0.35) TDP1CHRM3MAPTIDO1PTPN1
SCHEMBL12889966 0.72 ALDH1A1 (0.38) TDP1CHRM3MAPTLMNACHRM2
SCHEMBL10937960 0.72 CHRM3 (0.45) TDP1CHRM3MAPTLMNACHRM2
SCHEMBL817805 0.69 CRHBP (0.44) TDP1CHRM3MAPTLMNACHRM2
SCHEMBL819613 0.69 CHRM3 (0.42) TDP1CHRM3MAPTLMNACHRM2
SCHEMBL31196992 0.67 TSHR (0.48) TDP1MAPTLMNATSHRCA1
SCHEMBL17049960 0.65 CHRM3 (0.40) TDP1CHRM3MAPTPTPN1LMNA
SCHEMBL817598 0.65 NPC1 (0.38) TDP1CHRM3MAPTIDO1PTPN1
SCHEMBL817072 0.65 CA1 (0.39) TDP1CHRM3MAPTLMNACHRM2
SCHEMBL818751 0.65 PTPN1 (0.36) TDP1CHRM3MAPTIDO1PTPN1

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