SCHEMBL25812962

SCHEMBL25812962

O=C(COc1ccc(Cl)c(Cl)c1)NC12CC(C1)[C@H](NC(=O)c1ccc(OC(F)(F)F)nc1)C2

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ATF4 P18848 15/20 0.43
▸ PTPRC P08575 1/20 0.37
▸ PTPN1 P18031 1/20 0.37
▸ PTPN11 Q06124 1/20 0.37
▸ PTPN13 Q12923 1/20 0.37
▸ PTPN22 Q9Y2R2 1/20 0.37
▸ TRPV1 Q8NER1 1/20 0.36
▸ ALDH1A1 P00352 2/20 0.35
▸ HPGD P15428 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ GAA P10253 1/20 0.35

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
SCHEMBL25812815 0.94 ATF4 (0.51) ATF4PTPRCPTPN1PTPN11PTPN13
SCHEMBL19568855 0.86 ATF4 (0.43) ATF4PTPRCPTPN1PTPN11PTPN13
SCHEMBL19556468 0.85 ATF4 (0.51) ATF4TRPV1
SCHEMBL25804693 0.84 ATF4 (0.50) ATF4
SCHEMBL19568400 0.81 SSTR3 (0.44) ATF4ALDH1A1HPGDTSHRGAA
SCHEMBL22437135 0.81 ATF4 (0.40) ATF4PTPRCPTPN1PTPN11PTPN13
SCHEMBL25796804 0.80 ATF4 (0.53) ATF4PTPRCPTPN1PTPN11PTPN13
SCHEMBL20992779 0.79 ATF4 (0.44) ATF4
SCHEMBL22437091 0.79 ATF4 (0.54) ATF4
SCHEMBL19556276 0.79 ATF4 (0.61) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3452456-B1 BICYCLIC MODULATORS OF THE INTEGRATED STRESS PATHWAY CALICO LIFE SCIENCES LLC (US) 2023-07-05 — — EP disclosed
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