SCHEMBL9705574

SCHEMBL9705574

COc1ccc(CBr)cc1OCCCCOc1cc(CBr)ccc1OC

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.52
SIGMAR1 Q99720 2/20 0.47
EBP Q15125 1/20 0.47
TMEM97 Q5BJF2 1/20 0.47
KDM4E B2RXH2 1/20 0.46
ATM Q13315 1/20 0.46
BIRC5 O15392 1/20 0.45
PRSS1 P07477 1/20 0.45
ALDH1A1 P00352 1/20 0.44
PPARG P37231 1/20 0.44
PPARD Q03181 1/20 0.44
PPARA Q07869 1/20 0.44

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
SCHEMBL9706259 0.93 CA2 (0.52) CA2KDM4EATMBIRC5PRSS1
SCHEMBL1039963 0.91 REN (0.48) CA2SIGMAR1EBPTMEM97PRSS1
SCHEMBL6801155 0.89 SIGMAR1 (0.51) CA2SIGMAR1EBPTMEM97
SCHEMBL1080853 0.86 CA2 (0.68) CA2SIGMAR1KDM4EATMALDH1A1
SCHEMBL29559892 0.86 CA2 (0.68) CA2SIGMAR1KDM4EATMALDH1A1
SCHEMBL13016630 0.84 MAPT (0.48) CA2KDM4EALDH1A1
SCHEMBL5669999 0.84 BIRC5 (0.51) BIRC5ALDH1A1PPARG
SCHEMBL6794956 0.82 CA2 (0.48) CA2SIGMAR1EBPTMEM97KDM4E
SCHEMBL29002954 0.82 BIRC5 (0.50) BIRC5ALDH1A1
SCHEMBL11801348 0.81 BIRC5 (0.53) KDM4EBIRC5ALDH1A1PPARG

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
EP-0228803-B1 IONENE ELASTOMERS MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1992-09-16 EP disclosed