SCHEMBL19569584

SCHEMBL19569584

CC1(NCCOc2ccc(Cl)c(Cl)c2)CC(C)(NC(=O)COc2ccc(Cl)c(Cl)c2)C1

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.52
▸ KDM4E B2RXH2 3/20 0.52
▸ LMNA P02545 1/20 0.52
▸ GRIN1 Q05586 1/20 0.52
▸ GRIN2B Q13224 1/20 0.52
▸ ATF4 P18848 7/20 0.45
▸ SMN1; SMN2 Q16637 2/20 0.45
▸ GAA P10253 1/20 0.43

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
SCHEMBL19569440 0.94 ATF4 (0.52) ALDH1A1KDM4ELMNAGRIN1GRIN2B
SCHEMBL19569439 0.87 ATF4 (0.42) ALDH1A1KDM4ELMNAGRIN1GRIN2B
SCHEMBL30024960 0.85 ATF4 (0.59) ALDH1A1KDM4ELMNAGRIN1GRIN2B
SCHEMBL19555405 0.85 ATF4 (0.59) ALDH1A1KDM4ELMNAGRIN1GRIN2B
SCHEMBL19569443 0.83 ATF4 (0.60) ATF4
SCHEMBL19569304 0.82 ATF4 (0.49) ALDH1A1LMNAATF4GAA
SCHEMBL20999266 0.82 ATF4 (0.48) ALDH1A1KDM4ELMNAGRIN1GRIN2B
SCHEMBL19569273 0.81 ATF4 (0.44) ALDH1A1KDM4ELMNAGRIN1GRIN2B
SCHEMBL19569272 0.81 PPARG (0.43) ALDH1A1KDM4ELMNAGRIN1GRIN2B
SCHEMBL20974287 0.79 ATF4 (0.64) GRIN1GRIN2BATF4

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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