SCHEMBL19555708

SCHEMBL19555708

COc1cccc(CNC(=O)C23CCC(NC(=O)COc4ccc(Cl)c(F)c4)(CC2)C[C@@H]3O)c1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ATF4 P18848 10/20 0.47
▸ NPC1 O15118 1/20 0.43
▸ ANO1 Q5XXA6 1/20 0.42
▸ ALDH1A1 P00352 2/20 0.41
▸ HTT P42858 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ P2RX7 Q99572 1/20 0.39
▸ MEN1 O00255 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ PKM P14618 1/20 0.38

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
SCHEMBL19577117 1.00 ATF4 (0.47) ATF4NPC1ANO1ALDH1A1HTT
SCHEMBL19555680 0.93 ATF4 (0.51) ATF4ALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL19577118 0.93 ATF4 (0.51) ATF4ALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL30446203 0.91 ATF4 (0.48) ATF4HTTP2RX7MEN1KMT2A
SCHEMBL22395076 0.91 ATF4 (0.48) ATF4HTTP2RX7MEN1KMT2A
SCHEMBL19577518 0.91 ATF4 (0.48) ATF4HTTP2RX7MEN1KMT2A
SCHEMBL22395175 0.91 ATF4 (0.48) ATF4HTTP2RX7
SCHEMBL22395092 0.91 ATF4 (0.48) ATF4HTTP2RX7
SCHEMBL19577120 0.91 ATF4 (0.48) ATF4HTTP2RX7
SCHEMBL19577310 0.91 ATF4 (0.48) ATF4HTTP2RX7

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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