SCHEMBL29409120

SCHEMBL29409120

O=C(NC12CC(c3cc(-c4ccc(Cl)c(F)c4)on3)(C1)C2)[C@H]1C[C@@H](O)c2cc(Cl)ccc2O1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ATF4 P18848 4/20 0.37
▸ TRPV1 Q8NER1 3/20 0.33
▸ MAPT P10636 4/20 0.31
▸ THRB P10828 3/20 0.31
▸ SMN1; SMN2 Q16637 2/20 0.31
▸ SCD5 Q86SK9 1/20 0.31
▸ TP53 P04637 2/20 0.31
▸ MEN1 O00255 1/20 0.30
▸ NPC1 O15118 1/20 0.30
▸ RAB9A P51151 1/20 0.30
▸ KMT2A Q03164 1/20 0.30
▸ LMNA P02545 1/20 0.30
▸ POLB P06746 1/20 0.30
▸ TDP1 Q9NUW8 1/20 0.30
▸ RXFP1 Q9HBX9 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
SCHEMBL22614077 1.00 ATF4 (0.37) ATF4TRPV1MAPTTHRBSMN1; SMN2
SCHEMBL22614432 1.00 ATF4 (0.37) ATF4TRPV1MAPTTHRBSMN1; SMN2
SCHEMBL29409091 1.00 ATF4 (0.37) ATF4TRPV1MAPTTHRBSMN1; SMN2
SCHEMBL29409027 0.91 ATF4 (0.38) ATF4MAPTTHRBSMN1; SMN2TP53
SCHEMBL22614188 0.91 ATF4 (0.38) ATF4MAPTTHRBSMN1; SMN2TP53
SCHEMBL29408906 0.91 ATF4 (0.38) ATF4MAPTTHRBSMN1; SMN2TP53
SCHEMBL22614117 0.91 ATF4 (0.38) ATF4MAPTTHRBSMN1; SMN2TP53
SCHEMBL22614540 0.86 ATF4 (0.37) ATF4TRPV1
SCHEMBL22614483 0.86 ATF4 (0.37) ATF4TRPV1
SCHEMBL29409177 0.86 ATF4 (0.37) ATF4TRPV1

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
Send feedback