SCHEMBL4596738

SCHEMBL4596738

CCCCC(CC)CC1CC2OC2CC1(CC(CC)CCCC)C(=O)O

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CA2 P00918 3/20 0.32
MAPK1 P28482 1/20 0.32
ALDH1A1 P00352 1/20 0.30
CYP3A4 P08684 1/20 0.30
TSHR P16473 1/20 0.30
ATM Q13315 1/20 0.30
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL23440236 0.84 CA2 (0.33) CA2ALDH1A1CYP3A4TSHRATM
SCHEMBL467570 0.77 CA2 (0.38) CA2MAPK1ALDH1A1CYP3A4TSHR
SCHEMBL2229712 0.76 CA2 (0.32) CA2ALDH1A1CYP3A4TSHRATM
SCHEMBL2917187 0.74 CA2 (0.34) CA2MAPK1ALDH1A1CYP3A4TSHR
SCHEMBL278685 0.73
SCHEMBL4458916 0.72 CA2 (0.34) CA2MAPK1ALDH1A1CYP3A4TSHR
SCHEMBL7875737 0.71 CA2 (0.33) CA2MAPK1ALDH1A1CYP3A4TSHR
SCHEMBL4600594 0.69
SCHEMBL11880857 0.67 CA2 (0.36) CA2MAPK1ALDH1A1CYP3A4TSHR
SCHEMBL9053319 0.67 CA2 (0.30) CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080033118-A1 Aliphatic Polyester Resin Compositions and Shaped Articles 3M INNOVATIVE PROPERTIES COMPANY 2008-02-07 US disclosed
EP-1789493-B1 ALIPHATIC POLYESTER RESIN COMPOSITIONS AND SHAPED ARTICLES 3M INNOVATIVE PROPERTIES CO (US) 2008-01-16 EP disclosed
EP-1789493-A1 ALIPHATIC POLYESTER RESIN COMPOSITIONS AND SHAPED ARTICLES 3M Innovative Properties Company (US) 2007-05-30 EP disclosed
WO-2006026111-A1 ALIPHATIC POLYESTER RESIN COMPOSITIONS AND SHAPED ARTICLES 3M INNOVATIVE PROPERTIES COMPANY (US) 2006-03-09 WO disclosed
US-20050272843-A1 Aliphatic polyester resin composition 3M INNOVATIVE PROEPRTIES COMPANY 2005-12-08 US disclosed
EP-1572795-A1 ALIPHATIC POLYESTER RESIN COMPOSITION 3M Innovative Properties Company (US) 2005-09-14 EP disclosed
WO-2004055104-A1 ALIPHATIC POLYESTER RESIN COMPOSITION 3M INNOVATIVE PROPERTIES COMPANY (US) 2004-07-01 WO disclosed