SCHEMBL1777446

SCHEMBL1777446

C=CCC(CC=C)OCOCc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.47
TDP1 Q9NUW8 1/20 0.41
CA1 P00915 4/20 0.41
CA2 P00918 2/20 0.41
CA7 P43166 2/20 0.41
CA9 Q16790 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.39
TACR1 P25103 2/20 0.37
HTT P42858 1/20 0.36
MAPT P10636 1/20 0.35
IDO1 P14902 1/20 0.35
CYP2C19 P33261 1/20 0.35
ALOX15 P16050 1/20 0.35
ATM Q13315 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
AGXT P21549 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
SCHEMBL1776277 0.85 SMN1; SMN2 (0.43) TSHRTDP1CA1CA2CA7
SCHEMBL14739550 0.79 CA1 (0.45) TSHRTDP1CA1CA2CA7
SCHEMBL9497399 0.79 SMN1; SMN2 (0.41) TSHRTDP1CA1CA2CA7
SCHEMBL9577155 0.79 SMN1; SMN2 (0.41) TSHRTDP1CA1CA2CA7
SCHEMBL17502470 0.79 RCE1 (0.42) TSHRTDP1CA1CA2CA7
SCHEMBL24025165 0.78 CA1 (0.44) TSHRTDP1CA1CA2CA7
SCHEMBL13405406 0.77 HTT (0.50) TSHRTDP1CA1CA2CA7
SCHEMBL16370105 0.76 SLC1A3 (0.39) TSHRTDP1SMN1; SMN2IDO1CYP2C19
SCHEMBL22490406 0.76 MEN1 (0.40) TSHRTDP1SMN1; SMN2IDO1CYP2C19
SCHEMBL30876749 0.76 TDP1 (0.39) TSHRTDP1CA1CA2CA7

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-7943715-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) 2011-05-17 US disclosed
US-20080221286-A1 DIENE POLYMER AND PROCESS FOR PRODUCING THE SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2008-09-11 US disclosed