SCHEMBL29409177

SCHEMBL29409177

O=C(NC12CC(c3cc(-c4ccc(Cl)c(F)c4)no3)(C1)C2)[C@H]1C[C@@H](O)c2cc(Cl)ccc2O1

nearest known ligand 0.37

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ ATF4 P18848 2/20 0.37
▸ TRPV1 Q8NER1 3/20 0.33
▸ KMO O15229 1/20 0.31

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
SCHEMBL22614483 1.00 ATF4 (0.37) ATF4TRPV1KMO
SCHEMBL22614540 1.00 ATF4 (0.37) ATF4TRPV1KMO
SCHEMBL29409090 1.00 ATF4 (0.37) ATF4TRPV1KMO
SCHEMBL29408880 0.91 ATF4 (0.38) ATF4
SCHEMBL29408957 0.91 ATF4 (0.38) ATF4
SCHEMBL22613989 0.91 ATF4 (0.38) ATF4
SCHEMBL22613871 0.91 ATF4 (0.38) ATF4
SCHEMBL22614077 0.86 ATF4 (0.37) ATF4TRPV1
SCHEMBL22614432 0.86 ATF4 (0.37) ATF4TRPV1
SCHEMBL29409091 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