SCHEMBL19555680

SCHEMBL19555680

COc1ccc(CNC(=O)C23CCC(NC(=O)COc4ccc(Cl)c(F)c4)(CC2)C[C@@H]3O)cc1

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ATF4 P18848 14/20 0.51
▸ GAA P10253 1/20 0.45
▸ ALDH1A1 P00352 2/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 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
SCHEMBL19577118 1.00 ATF4 (0.51) ATF4GAAALDH1A1MEN1KMT2A
SCHEMBL22395289 0.93 ATF4 (0.51) ATF4ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL19577520 0.93 ATF4 (0.51) ATF4ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL19577312 0.93 ATF4 (0.51) ATF4GAALMNASMN1; SMN2
SCHEMBL22395294 0.93 ATF4 (0.51) ATF4
SCHEMBL19577309 0.93 ATF4 (0.51) ATF4
SCHEMBL22395139 0.93 ATF4 (0.51) ATF4GAALMNASMN1; SMN2
SCHEMBL30682428 0.93 ATF4 (0.51) ATF4
SCHEMBL19577117 0.93 ATF4 (0.47) ATF4ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL19555708 0.93 ATF4 (0.47) ATF4ALDH1A1MEN1KMT2ASMN1; SMN2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3704089-A1 MODULATORS OF THE INTEGRATED STRESS PATHWAY Calico Life Sciences LLC (US) 2020-09-09 — — EP disclosed
EP-3452453-A1 MODULATORS OF THE INTEGRATED STRESS PATHWAY Calico Life Sciences LLC (US) 2019-03-13 — — EP disclosed
WO-2017193041-A1 MODULATORS OF THE INTEGRATED STRESS PATHWAY CALICO LIFE SCIENCES (US) 2017-11-09 — — WO disclosed
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