SCHEMBL19569276

SCHEMBL19569276

CC1(NC(=O)CCOCc2cccc(Cl)c2)CC(C)(NC(=O)COc2ccc(Cl)c(Cl)c2)C1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 1/20 0.43
▸ MRGPRX4 Q96LA9 1/20 0.42
▸ MAOB P27338 4/20 0.41
▸ MAOA P21397 3/20 0.41
▸ ATF4 P18848 2/20 0.40
▸ ADAMTS5 Q9UNA0 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ ALOX12 P18054 1/20 0.39
▸ RXRA P19793 1/20 0.39
▸ RXRB P28702 1/20 0.39
▸ RXRG P48443 1/20 0.39

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
SCHEMBL19569460 0.92 ATF4 (0.47) HTTMAOBMAOAATF4
SCHEMBL30024684 0.91 ATF4 (0.51) HTTMRGPRX4ATF4
SCHEMBL19555423 0.91 ATF4 (0.51) HTTMRGPRX4ATF4
SCHEMBL19569273 0.87 ATF4 (0.44) ATF4GAAALOX12
SCHEMBL19569277 0.87 HTT (0.44) HTTMRGPRX4MAOBMAOAATF4
SCHEMBL22669332 0.86 HTT (0.42) HTTMRGPRX4MAOBMAOAATF4
SCHEMBL22669230 0.86 HTT (0.39) HTTMRGPRX4MAOBMAOAADAMTS5
SCHEMBL19569304 0.85 ATF4 (0.49) ATF4GAAALOX12
SCHEMBL19569272 0.84 PPARG (0.43) ATF4
SCHEMBL20974206 0.83 ATF4 (0.57) MAOBATF4

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-2017193034-A1 MODULATORS OF THE INTEGRATED STRESS PATHWAY CALICO LIFE SCIENCES (US) 2017-11-09 — — WO disclosed
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