SCHEMBL10074436

SCHEMBL10074436

C=C(C)c1cc2c(cc1O)CN(C(=O)OC(C)(C)C)CCS2

nearest known ligand 0.45

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 1/20 0.45
NR1H2 P55055 1/20 0.41
MAPK1 P28482 1/20 0.39
RYR2 Q92736 16/20 0.39
HDAC1 Q13547 1/20 0.36

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
SCHEMBL6867068 0.91 ESR2 (0.46) ESR2NR1H2MAPK1RYR2HDAC1
SCHEMBL8196121 0.84 RYR2 (0.39) ESR2RYR2
SCHEMBL6867410 0.83 NR1H2 (0.49) ESR2NR1H2MAPK1RYR2HDAC1
SCHEMBL6867859 0.83 ESR2 (0.47) ESR2NR1H2MAPK1RYR2HDAC1
SCHEMBL13622125 0.83 ESR2 (0.47) ESR2NR1H2MAPK1RYR2
SCHEMBL6866566 0.80 ESR2 (0.45) ESR2NR1H2MAPK1RYR2HDAC1
SCHEMBL12265359 0.80 RYR2 (0.43) ESR2NR1H2MAPK1RYR2
SCHEMBL807127 0.78 ESR2 (0.65) ESR2NR1H2MAPK1RYR2
SCHEMBL13622263 0.78 RYR2 (0.46) ESR2NR1H2MAPK1RYR2HDAC1
SCHEMBL30015973 0.77 ESR2 (0.51) ESR2NR1H2MAPK1RYR2HDAC1

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
WO-2012019071-A1 METHODS OF PREVENTING AND TREATING SARCOPENIA THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2012-02-09 WO disclosed