SCHEMBL29408947

SCHEMBL29408947

O=C(NC12CC(c3cc(-c4ccc(C(F)(F)F)nc4)no3)(C1)C2)[C@@H]1C[C@@H](O)c2cc(Cl)ccc2O1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ATF4 P18848 6/20 0.39
▸ TRPA1 O75762 4/20 0.32
▸ TRPV3 Q8NET8 2/20 0.31
▸ NR1H4 Q96RI1 1/20 0.30
▸ KDM4E B2RXH2 1/20 0.30
▸ LMNA P02545 1/20 0.30
▸ TP53 P04637 1/20 0.30
▸ GAA P10253 1/20 0.30
▸ MAPT P10636 1/20 0.30
▸ ALOX15 P16050 1/20 0.30
▸ SMN1; SMN2 Q16637 1/20 0.30
▸ HSD17B10 Q99714 1/20 0.30
▸ L3MBTL1 Q9Y468 1/20 0.30
▸ CNR1 P21554 1/20 0.30
▸ CNR2 P34972 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
SCHEMBL22613809 1.00 ATF4 (0.39) ATF4TRPA1TRPV3NR1H4KDM4E
SCHEMBL22614615 1.00 ATF4 (0.39) ATF4TRPA1TRPV3NR1H4KDM4E
SCHEMBL29408944 1.00 ATF4 (0.39) ATF4TRPA1TRPV3NR1H4KDM4E
SCHEMBL29408880 0.89 ATF4 (0.38) ATF4LMNAMAPTSMN1; SMN2L3MBTL1
SCHEMBL29408957 0.89 ATF4 (0.38) ATF4LMNAMAPTSMN1; SMN2L3MBTL1
SCHEMBL22613871 0.89 ATF4 (0.38) ATF4LMNAMAPTSMN1; SMN2L3MBTL1
SCHEMBL22613989 0.89 ATF4 (0.38) ATF4LMNAMAPTSMN1; SMN2L3MBTL1
SCHEMBL22614502 0.87 ATF4 (0.38) ATF4TRPA1NR1H4
SCHEMBL22614219 0.87 ATF4 (0.38) ATF4TRPA1NR1H4
SCHEMBL29409041 0.87 ATF4 (0.38) 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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