SCHEMBL818082

SCHEMBL818082

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

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.34
TSHR P16473 2/20 0.32
LMNA P02545 1/20 0.32
ALDH1A1 P00352 2/20 0.32
NR4A2 P43354 4/20 0.32
MAPT P10636 1/20 0.32
HSD17B10 Q99714 2/20 0.32
CFTR P13569 1/20 0.32
NPSR1 Q6W5P4 1/20 0.31
RXFP1 Q9HBX9 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
MYC P01106 1/20 0.31
CREBBP Q92793 1/20 0.31
CA12 O43570 3/20 0.31
CA1 P00915 3/20 0.31
CA2 P00918 3/20 0.31
CA7 P43166 3/20 0.31
CA9 Q16790 3/20 0.31
CA14 Q9ULX7 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
SCHEMBL817678 0.82 TSHR (0.43) TSHRLMNAALDH1A1MAPTHSD17B10
SCHEMBL817739 0.81 CA12 (0.36) TDP1TSHRLMNAALDH1A1MAPT
SCHEMBL819205 0.78 ALDH1A1 (0.47) TDP1TSHRALDH1A1MAPTNPSR1
SCHEMBL818444 0.76 TSHR (0.39) TDP1TSHRLMNAALDH1A1NR4A2
SCHEMBL818062 0.75 TSHR (0.49) TDP1TSHRLMNAALDH1A1MAPT
SCHEMBL10338859 0.73 KDM4E (0.36) TDP1TSHRLMNAALDH1A1NR4A2
SCHEMBL5861666 0.73 TSHR (0.34) TDP1TSHRLMNAALDH1A1NR4A2
SCHEMBL7619049 0.73 TSHR (0.33) TDP1TSHRLMNAALDH1A1NR4A2
SCHEMBL14988173 0.71 ABL1 (0.33) TSHRLMNAALDH1A1MAPTHSD17B10
SCHEMBL17961022 0.70 TSHR (0.32) TDP1TSHRLMNAALDH1A1NR4A2

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