SCHEMBL818541

SCHEMBL818541

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

nearest known ligand 0.33

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32
ALDH1A1 P00352 6/20 0.31
KDM4E B2RXH2 4/20 0.31
NPC1 O15118 1/20 0.31
MAPT P10636 1/20 0.31
HPGD P15428 1/20 0.31
RAB9A P51151 1/20 0.31
POLB P06746 1/20 0.31
HSD17B10 Q99714 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
LMNA P02545 3/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
TSHR P16473 2/20 0.31
USP2 O75604 1/20 0.31
TP53 P04637 1/20 0.31
AR P10275 1/20 0.30
SLC6A3 Q01959 3/20 0.30
SLC6A2 P23975 2/20 0.30

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
SCHEMBL817219 0.80 ALDH1A1 (0.35) ALDH1A1KDM4ENPC1MAPTHPGD
SCHEMBL816941 0.76 ALDH1A1 (0.43) NPSR1ALDH1A1KDM4ENPC1MAPT
SCHEMBL817155 0.75 TSHR (0.44) ALDH1A1HPGDHSD17B10TDP1LMNA
SCHEMBL818744 0.73 KDM4E (0.31) RXFP1ALDH1A1KDM4ENPC1MAPT
SCHEMBL9444531 0.72 SLC6A3 (0.36) LMNATSHRSLC6A3SLC6A2
SCHEMBL12808601 0.70 NPSR1 (0.31) NPSR1ALDH1A1
SCHEMBL17787819 0.70 NPSR1 (0.31) NPSR1ALDH1A1
SCHEMBL818627 0.69 SLC6A3 (0.41) ALDH1A1SLC6A3SLC6A2
SCHEMBL23364362 0.68 SMN1; SMN2 (0.38) ALDH1A1KDM4EMAPTPOLBTDP1
SCHEMBL818180 0.68 SLC6A3 (0.33) ALDH1A1KDM4ENPC1HSD17B10SMN1; SMN2

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