SCHEMBL20170840

SCHEMBL20170840

COc1cc(Br)c2c(c1O)[C@]13CC(=O)CCC1C1NCC21C3

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.41
ERN1 O75460 2/20 0.33
IGF1R P08069 1/20 0.31
ALDH1A1 P00352 2/20 0.30
KDM4E B2RXH2 1/20 0.30
TSHR P16473 1/20 0.30
MAPT P10636 1/20 0.30
HPGD P15428 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
HSD17B10 Q99714 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
SCHEMBL20170784 0.81 GAA (0.51) GAAKDM4EMAPT
SCHEMBL20170711 0.77 GAA (0.39) GAA
SCHEMBL10222587 0.76 GAA (0.39) GAAALDH1A1MAPTHPGDSMN1; SMN2
SCHEMBL20170701 0.76 GAA (0.39) GAA
SCHEMBL12945025 0.76 GAA (0.38) GAAERN1ALDH1A1KDM4ETSHR
SCHEMBL12945027 0.76 GAA (0.38) GAA
SCHEMBL20170666 0.72 GAA (0.37) GAAIGF1RALDH1A1MAPTHPGD
SCHEMBL6123801 0.72 GAA (0.46) GAAIGF1RALDH1A1KDM4ETSHR
SCHEMBL21202053 0.72 GAA (0.43) GAAIGF1RALDH1A1KDM4ETSHR
SCHEMBL10033223 0.72 GAA (0.46) GAAIGF1RALDH1A1KDM4ETSHR

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-2453895-B1 (+) - MORPHINANS AS ANTAGONISTS OF TOLL-LIKE RECEPTOR 9 AND THERAPEUTIC USES THEREOF MALLINCKRODT LLC (US) 2018-05-23 EP disclosed