SCHEMBL19569593

SCHEMBL19569593

COc1cc(OCC(=O)NC2CC(NC(=O)COc3ccc(Cl)c(F)c3)C2)ccc1Cl

nearest known ligand 0.61

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ ATF4 P18848 16/20 0.61
▸ LMNA P02545 1/20 0.46
▸ CYP1A2 P05177 1/20 0.46
▸ CYP3A4 P08684 1/20 0.46
▸ CYP2C19 P33261 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ NPC1 O15118 1/20 0.45
▸ RAB9A P51151 1/20 0.45

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
SCHEMBL28580886 0.86 ATF4 (0.63) ATF4LMNA
SCHEMBL28580887 0.86 ATF4 (0.63) ATF4LMNA
SCHEMBL22362367 0.86 ATF4 (0.71) ATF4LMNARAB9A
SCHEMBL22362323 0.86 ATF4 (0.71) ATF4LMNARAB9A
SCHEMBL23455910 0.84 ATF4 (0.65) ATF4LMNA
SCHEMBL23455912 0.84 ATF4 (0.65) ATF4LMNA
SCHEMBL16082976 0.83 ATF4 (0.78) ATF4LMNANPC1RAB9A
SCHEMBL20974292 0.82 ATF4 (0.67) ATF4
SCHEMBL19569586 0.82 ATF4 (0.56) ATF4
SCHEMBL22362298 0.82 ATF4 (0.66) ATF4LMNARAB9A

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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