SCHEMBL817219

SCHEMBL817219

CC1CC=CC(C(=O)OC(C)C)=C(C(=O)OC(C)C)C1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.35
TSHR P16473 1/20 0.35
KDM4E B2RXH2 4/20 0.35
LMNA P02545 2/20 0.35
USP2 O75604 1/20 0.35
HSD17B10 Q99714 1/20 0.35
MAPT P10636 2/20 0.34
HPGD P15428 1/20 0.34
CA12 O43570 6/20 0.33
CA1 P00915 6/20 0.33
CA2 P00918 6/20 0.33
CA7 P43166 6/20 0.33
CA9 Q16790 6/20 0.33
CA14 Q9ULX7 6/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A3 Q01959 1/20 0.33
ALOX15 P16050 1/20 0.32
CYP1A2 P05177 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 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
SCHEMBL818541 0.80 NPSR1 (0.32) ALDH1A1TSHRKDM4ELMNAUSP2
SCHEMBL816941 0.78 ALDH1A1 (0.43) ALDH1A1TSHRKDM4ELMNAHSD17B10
SCHEMBL818661 0.76 ALDH1A1 (0.35) ALDH1A1TSHRKDM4ELMNAUSP2
SCHEMBL819757 0.72 SLC6A2 (0.43) ALDH1A1TSHRKDM4EHSD17B10CA12
SCHEMBL817155 0.71 TSHR (0.44) ALDH1A1TSHRLMNAHSD17B10HPGD
SCHEMBL817677 0.71 CA12 (0.42) ALDH1A1TSHRKDM4ELMNAUSP2
SCHEMBL818439 0.71 SLC6A2 (0.36) ALDH1A1TSHRKDM4ELMNAUSP2
SCHEMBL24471530 0.69 ALDH1A1 (0.40) ALDH1A1TSHRKDM4ELMNAUSP2
SCHEMBL21950921 0.67 CA12 (0.45) ALDH1A1TSHRKDM4ELMNAUSP2
SCHEMBL818551 0.66 KDM4E (0.43) ALDH1A1TSHRKDM4ELMNAUSP2

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