SCHEMBL5071332

SCHEMBL5071332

CCC(CCCC(Br)C(=O)O)C(Br)(CC)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
LCK P06239 1/20 0.47
PPARD Q03181 1/20 0.47
ZDHHC20 Q5W0Z9 1/20 0.47
ZDHHC2 Q9UIJ5 1/20 0.47
ALDH1A1 P00352 1/20 0.31
TSHR P16473 1/20 0.31
CA2 P00918 1/20 0.31
MAPK1 P28482 1/20 0.31
ZDHHC7 Q9NXF8 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
SCHEMBL17669538 0.90 LCK (0.42) LCKPPARDZDHHC20ZDHHC2ALDH1A1
SCHEMBL755454 0.81 LCK (0.35) LCKPPARDZDHHC20ZDHHC2ALDH1A1
SCHEMBL5073242 0.78 LCK (0.53) LCKPPARDZDHHC20ZDHHC2ALDH1A1
SCHEMBL11531287 0.77 FFAR4 (0.45) PPARDALDH1A1TSHR
SCHEMBL31430102 0.72 SLC22A6 (0.31) ALDH1A1
SCHEMBL2122342 0.72 LCK (0.65) LCKPPARDZDHHC20ZDHHC2ALDH1A1
SCHEMBL1024524 0.71
SCHEMBL17822467 0.71
SCHEMBL140785 0.68
SCHEMBL1449048 0.68

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1669406-B1 THERMOPLASTIC ELASTOMER COMPOSITION KANEKA CORP (JP) 2008-12-24 EP disclosed
US-20080227905-A1 Thermoplastic Elastomer Composition KANEKA CORPORATION (JP) 2008-09-18 US disclosed
EP-1669406-A1 THERMOPLASTIC ELASTOMER COMPOSITION KANEKA CORPORATION (JP) 2006-06-14 EP disclosed