SCHEMBL19577455

SCHEMBL19577455

O=C(COc1ccc(Cl)c(F)c1)NC1CC2(C(=O)NCc3cccc(OC(F)F)c3)CC1C2

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ATF4 P18848 13/20 0.43
▸ PPARG P37231 1/20 0.38
▸ PPARA Q07869 1/20 0.38
▸ ROCK2 O75116 1/20 0.38
▸ ROCK1 Q13464 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ PTGES O14684 1/20 0.38

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
SCHEMBL24323366 1.00 ATF4 (0.43) ATF4PPARGPPARAROCK2ROCK1
SCHEMBL19577415 0.93 ATF4 (0.45) ATF4HTTPTGES
SCHEMBL24324526 0.90 ATF4 (0.45) ATF4HTT
SCHEMBL24323279 0.89 ATF4 (0.47) ATF4PPARGPPARA
SCHEMBL24322860 0.89 ATF4 (0.44) ATF4HTT
SCHEMBL24322841 0.89 ATF4 (0.44) ATF4HTT
SCHEMBL24323038 0.88 ATF4 (0.48) ATF4
SCHEMBL24324501 0.86 ATF4 (0.42) ATF4
SCHEMBL24322972 0.86 ATF4 (0.44) ATF4
SCHEMBL24323479 0.86 ATF4 (0.44) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3452453-B1 MODULATORS OF THE INTEGRATED STRESS PATHWAY CALICO LIFE SCIENCES LLC (US) 2022-04-13 — — EP disclosed
WO-2017193041-A1 MODULATORS OF THE INTEGRATED STRESS PATHWAY CALICO LIFE SCIENCES (US) 2017-11-09 — — WO disclosed
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