SCHEMBL888537

SCHEMBL888537

CCCCC(C)CC(COCC)C(=O)OCC

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CA2 P00918 7/20 0.39
CA1 P00915 3/20 0.39
L3MBTL1 Q9Y468 1/20 0.37
CPB2 Q96IY4 2/20 0.36
TSHR P16473 2/20 0.35
CYP3A4 P08684 1/20 0.35
ATM Q13315 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
MAPK1 P28482 1/20 0.34
ACE2 Q9BYF1 1/20 0.34
SLC1A3 P43003 1/20 0.33
SLC1A2 P43004 1/20 0.33
SLC1A1 P43005 1/20 0.33
MAPT P10636 1/20 0.33
PLA2G2C Q5R387 1/20 0.32
LMNA P02545 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
SCHEMBL888269 0.89 CA2 (0.53) CA2CA1L3MBTL1TSHRCYP3A4
SCHEMBL888406 0.87 CA2 (0.42) CA2CA1L3MBTL1CPB2TSHR
SCHEMBL5610391 0.84 CA2 (0.48) CA2CA1L3MBTL1CPB2TSHR
SCHEMBL820482 0.84 L3MBTL1 (0.37) CA2CA1L3MBTL1TSHRCYP3A4
SCHEMBL4969502 0.81 CA2 (0.39) CA2CA1L3MBTL1CPB2TSHR
SCHEMBL819892 0.79 HSD17B10 (0.38) CPB2TSHRCYP3A4SLC1A3SLC1A2
SCHEMBL19347256 0.78 CA2 (0.40) CA2CA1L3MBTL1CPB2TSHR
SCHEMBL888352 0.77 CPB2 (0.38) CA2CA1L3MBTL1CPB2LMNA
SCHEMBL28179456 0.76 ACE2 (0.40) CA1CPB2TSHRCYP3A4TDP1
SCHEMBL22604416 0.76 CPB2 (0.49) CA2CA1CPB2ACE2SLC1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110269928-A1 PROCESS FOR PRODUCING SOLID CATALYST COMPONENT FOR OLEFIN POLYMERIZATION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-11-03 US disclosed