SCHEMBL819252

SCHEMBL819252

CC1=CC(C(=O)OC(C)C)=C(C(=O)OC(C)C)CCC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 4/20 0.46
SLC6A2 P23975 1/20 0.46
TSHR P16473 1/20 0.38
HSD17B10 Q99714 3/20 0.36
ALOX15 P16050 1/20 0.36
CA12 O43570 6/20 0.35
CA1 P00915 6/20 0.35
CA2 P00918 6/20 0.35
CA7 P43166 6/20 0.35
CA9 Q16790 6/20 0.35
CA14 Q9ULX7 6/20 0.35
ALDH1A1 P00352 5/20 0.33
LMNA P02545 3/20 0.33
KDM4E B2RXH2 1/20 0.33
USP2 O75604 1/20 0.33
HPGD P15428 1/20 0.33
PDCD1 Q15116 1/20 0.33
CD274 Q9NZQ7 1/20 0.33
CYP1A2 P05177 1/20 0.32
CYP2C9 P11712 1/20 0.32

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
SCHEMBL817719 0.78 SLC6A3 (0.44) SLC6A3SLC6A2ALDH1A1
SCHEMBL818466 0.77 ALDH1A1 (0.41) TSHRALDH1A1KDM4EALOX12SMN1; SMN2
SCHEMBL819216 0.75 MAPT (0.42) TSHRHSD17B10ALOX15CA12CA1
SCHEMBL16732040 0.74 SLC6A3 (0.50) SLC6A3SLC6A2TSHRHSD17B10ALOX15
SCHEMBL819757 0.74 SLC6A2 (0.43) SLC6A3SLC6A2TSHRHSD17B10ALOX15
SCHEMBL817510 0.72 ALDH1A1 (0.42) SLC6A3SLC6A2TSHRHSD17B10ALOX15
SCHEMBL819466 0.70 TSHR (0.43) TSHRHSD17B10ALDH1A1LMNAHPGD
SCHEMBL817739 0.69 CA12 (0.36) TSHRHSD17B10CA12CA1CA2
SCHEMBL819970 0.68 ALDH1A1 (0.46) TSHRHSD17B10ALDH1A1LMNAKDM4E
SCHEMBL818439 0.67 SLC6A2 (0.36) SLC6A3SLC6A2TSHRHSD17B10ALOX15

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