SCHEMBL29408906

SCHEMBL29408906

O=C(NC12CC(c3cc(-c4ccc(Cl)cc4)on3)(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 5/20 0.36
▸ RAB9A P51151 5/20 0.36
▸ MAPT P10636 6/20 0.36
▸ CDH1 P12830 1/20 0.34
▸ CTNNB1 P35222 1/20 0.34
▸ TCF7L2 Q9NQB0 1/20 0.34
▸ NOTUM Q6P988 1/20 0.33
▸ SMN1; SMN2 Q16637 4/20 0.33
▸ TP53 P04637 4/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ THRB P10828 1/20 0.33
▸ CYP1A2 P05177 1/20 0.32
▸ POLB P06746 1/20 0.32
▸ GAA P10253 1/20 0.32
▸ CYP2D6 P10635 1/20 0.32
▸ CYP2C9 P11712 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32

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
SCHEMBL22614188 1.00 ATF4 (0.38) ATF4NPC1RAB9AMAPTCDH1
SCHEMBL22614117 1.00 ATF4 (0.38) ATF4NPC1RAB9AMAPTCDH1
SCHEMBL29409027 1.00 ATF4 (0.38) ATF4NPC1RAB9AMAPTCDH1
SCHEMBL29409091 0.91 ATF4 (0.37) ATF4NPC1RAB9AMAPTSMN1; SMN2
SCHEMBL29409120 0.91 ATF4 (0.37) ATF4NPC1RAB9AMAPTSMN1; SMN2
SCHEMBL22614077 0.91 ATF4 (0.37) ATF4NPC1RAB9AMAPTSMN1; SMN2
SCHEMBL22614432 0.91 ATF4 (0.37) ATF4NPC1RAB9AMAPTSMN1; SMN2
SCHEMBL22614502 0.88 ATF4 (0.38) ATF4
SCHEMBL22614219 0.88 ATF4 (0.38) ATF4
SCHEMBL29409041 0.88 ATF4 (0.38) ATF4

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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