SCHEMBL19569273

SCHEMBL19569273

CC1(NC(=O)CCOc2cccc(Cl)c2)CC(C)(NC(=O)COc2ccc(Cl)c(Cl)c2)C1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ATF4 P18848 3/20 0.44
▸ GRIN1 Q05586 1/20 0.43
▸ GRIN2B Q13224 1/20 0.43
▸ ALDH1A1 P00352 2/20 0.43
▸ LMNA P02545 2/20 0.43
▸ KDM4E B2RXH2 2/20 0.42
▸ TP53 P04637 1/20 0.42
▸ GAA P10253 1/20 0.42
▸ ALOX12 P18054 1/20 0.42
▸ PPARG P37231 1/20 0.42
▸ PPARD Q03181 1/20 0.42
▸ NOTUM Q6P988 1/20 0.42
▸ HTR1A P08908 1/20 0.42
▸ MAPT P10636 2/20 0.41

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
SCHEMBL19569272 0.95 PPARG (0.43) ATF4GRIN1GRIN2BALDH1A1LMNA
SCHEMBL19569304 0.94 ATF4 (0.49) ATF4ALDH1A1LMNATP53GAA
SCHEMBL19569425 0.91 ATF4 (0.51) ATF4PPARGPPARDMAPT
SCHEMBL30026263 0.91 ATF4 (0.56) ATF4
SCHEMBL20973901 0.91 ATF4 (0.56) ATF4
SCHEMBL19569276 0.87 HTT (0.43) ATF4GAAALOX12
SCHEMBL19569441 0.86 ATF4 (0.50) ATF4PPARGPPARD
SCHEMBL19569296 0.85 ATF4 (0.55) ATF4
SCHEMBL30025127 0.85 ATF4 (0.55) ATF4
SCHEMBL20999043 0.84 MAPT (0.42) GRIN1GRIN2BALDH1A1LMNATP53

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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