SCHEMBL29408957

SCHEMBL29408957

O=C(NC12CC(c3cc(-c4ccc(Cl)cc4)no3)(C1)C2)[C@@H]1C[C@@H](O)c2cc(Cl)ccc2O1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ATF4 P18848 2/20 0.38
▸ NPC1 O15118 2/20 0.33
▸ RAB9A P51151 2/20 0.33
▸ POLB P06746 1/20 0.33
▸ HTT P42858 2/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ JAK2 O60674 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ LMNA P02545 1/20 0.32
▸ NOTUM Q6P988 1/20 0.31
▸ CYP1A2 P05177 2/20 0.31
▸ MAPT P10636 2/20 0.31
▸ CYP2C19 P33261 2/20 0.31
▸ CYP3A4 P08684 1/20 0.31
▸ CYP2D6 P10635 1/20 0.31
▸ CYP2C9 P11712 1/20 0.31
▸ CA1 P00915 1/20 0.30
▸ CA2 P00918 1/20 0.30
▸ PDE10A Q9Y233 1/20 0.30

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
SCHEMBL22613871 1.00 ATF4 (0.38) ATF4NPC1RAB9APOLBHTT
SCHEMBL22613989 1.00 ATF4 (0.38) ATF4NPC1RAB9APOLBHTT
SCHEMBL29408880 1.00 ATF4 (0.38) ATF4NPC1RAB9APOLBHTT
SCHEMBL29409090 0.91 ATF4 (0.37) ATF4
SCHEMBL29409177 0.91 ATF4 (0.37) ATF4
SCHEMBL22614540 0.91 ATF4 (0.37) ATF4
SCHEMBL22614483 0.91 ATF4 (0.37) ATF4
SCHEMBL22613809 0.89 ATF4 (0.39) ATF4SMN1; SMN2L3MBTL1LMNAMAPT
SCHEMBL22614615 0.89 ATF4 (0.39) ATF4SMN1; SMN2L3MBTL1LMNAMAPT
SCHEMBL29408947 0.89 ATF4 (0.39) ATF4SMN1; SMN2L3MBTL1LMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4237413-A1 MODULATORS OF THE INTEGRATED STRESS PATHWAY Calico Life Sciences LLC (US) 2023-09-06 — — EP disclosed
WO-2022094244-A1 MODULATORS OF THE INTEGRATED STRESS PATHWAY CALICO LIFE SCIENCES LLC (US) 2022-05-05 — — WO disclosed
CN-114206848-A Substituted cycloalkyl compounds as modulators of integrated stress pathways 卡里科生命科学有限责任公司 2022-03-18 — — CN disclosed
EP-3962906-A1 SUBSTITUTED CYCLOALKYLS AS MODULATORS OF THE INTEGRATED STRESS PATHWAY Calico Life Sciences LLC (US) 2022-03-09 — — EP disclosed
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