SCHEMBL1928893

SCHEMBL1928893

C=CCC1(CC=C)c2cc(Cl)ccc2-c2ccc(Cl)cc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 2/20 0.43
PGR P06401 2/20 0.41
AKR1B1 P15121 3/20 0.39
AKR1A1 P14550 2/20 0.39
HPGD P15428 3/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C19 P33261 1/20 0.36
CES1 P23141 2/20 0.35
GAA P10253 1/20 0.35
TSHR P16473 1/20 0.35
PPOX P50336 1/20 0.34
NPC1 O15118 1/20 0.34
TP53 P04637 1/20 0.34
ALOX15 P16050 1/20 0.34
NFKB1 P19838 1/20 0.34
RAB9A P51151 1/20 0.34
NFKB2 Q00653 1/20 0.34
RELA Q04206 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL6019476 0.90 PDK2 (0.37) PDK2PGRAKR1B1AKR1A1HPGD
SCHEMBL1928668 0.85 PGR (0.44) PDK2PGRHPGDCYP1A2CYP3A4
SCHEMBL1571002 0.77 PDK2 (0.38) PDK2PGRAKR1B1AKR1A1HPGD
SCHEMBL1927377 0.77 AKR1B1 (0.39) PDK2PGRAKR1B1AKR1A1TGM2
SCHEMBL1929731 0.77 TDP2 (0.33) PGRCES1TGM2
SCHEMBL4607556 0.74 ALDH1A1 (0.34) PGRTSHRRAB9ASMN1; SMN2
SCHEMBL3361417 0.74 KDM4E (0.31) AKR1B1HPGDGAA
SCHEMBL1921866 0.74 PDK2 (0.47) PDK2PGRAKR1B1AKR1A1CES1
SCHEMBL2034866 0.73 PGR (0.34) PGR
SCHEMBL1928137 0.73 ALDH1A1 (0.36) HPGDCYP1A2CYP2C19GAANPC1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7964691-B2 5,5-diallyl-2,2-dimethyl-1,3-dioxane as monomer units; polymerization catalysts; heat resistance SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-06-21 US disclosed
US-7956145-B2 Polymerization of 1,6-heptadiene in the presence of a catalyst formed by contacting a transition metal with a diimino aluminum or boron compound, giving a polymer structure of alternating ethylene and cyclopentene; superior balance between a heat resistance and workability SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-06-07 US disclosed
WO-2009038031-A1 BLOCK COPOLYMER AND PRODUCTION PROCESS THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-03-26 WO disclosed
WO-2009038006-A1 RANDOM COPOLYMER AND PRODUCTION PROCESS THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-03-26 WO disclosed
US-20080234450-A1 DIENE POLYMER AND PROCESS FOR PRODUCING THE SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2008-09-25 US disclosed
US-20080214755-A1 OLEFIN-DIENE COPOLYMER AND PROCESS FOR PRODUCING THE SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2008-09-04 US disclosed