SCHEMBL21621097

SCHEMBL21621097

O=C(COc1ccc(Cl)c(F)c1)NC12CC1(COC(=O)Cc1ccc(Cl)cc1)C2

nearest known ligand 0.49

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ ATF4 P18848 17/20 0.49
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ KLK7 P49862 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41

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
SCHEMBL21621133 0.78 ATF4 (0.48) ATF4
SCHEMBL19569233 0.78 ATF4 (0.62) ATF4
SCHEMBL21621148 0.77 ATF4 (0.47) ATF4ALDH1A1
SCHEMBL30026091 0.77 ATF4 (0.76) ATF4
SCHEMBL19569675 0.77 ATF4 (0.76) ATF4
SCHEMBL21621077 0.77 NPC1 (0.48) ATF4ALDH1A1
SCHEMBL21621065 0.76 ATF4 (0.45) ATF4
SCHEMBL19555359 0.75 ATF4 (0.64) ATF4
SCHEMBL19569583 0.75 ATF4 (0.64) ATF4
SCHEMBL19569507 0.74 ATF4 (0.79) 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
WO-2020012339-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2020-01-16 — — WO disclosed
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