SCHEMBL29409041

SCHEMBL29409041

O=C(NC12CC(c3cc(-c4ccc(C(F)(F)F)nc4)on3)(C1)C2)[C@H]1C[C@@H](O)c2cc(Cl)ccc2O1

nearest known ligand 0.38

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ ATF4 P18848 4/20 0.38
▸ TRPA1 O75762 3/20 0.30
▸ NR1H4 Q96RI1 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
SCHEMBL22614502 1.00 ATF4 (0.38) ATF4TRPA1NR1H4
SCHEMBL22614219 1.00 ATF4 (0.38) ATF4TRPA1NR1H4
SCHEMBL29408860 1.00 ATF4 (0.38) ATF4TRPA1NR1H4
SCHEMBL22614188 0.88 ATF4 (0.38) ATF4
SCHEMBL29409027 0.88 ATF4 (0.38) ATF4
SCHEMBL22614117 0.88 ATF4 (0.38) ATF4
SCHEMBL29408906 0.88 ATF4 (0.38) ATF4
SCHEMBL22614615 0.87 ATF4 (0.39) ATF4TRPA1NR1H4
SCHEMBL22613809 0.87 ATF4 (0.39) ATF4TRPA1NR1H4
SCHEMBL29408944 0.87 ATF4 (0.39) ATF4TRPA1NR1H4

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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