SCHEMBL22396895

SCHEMBL22396895

O=C(COc1ccc(Cl)c(F)c1)NC12CCC(NC(=O)Cc3cccc(C(F)(F)F)c3)(CC1)[C@@H](O)C2

nearest known ligand 0.48

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ ATF4 P18848 16/20 0.48
▸ SMYD3 Q9H7B4 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ POLB P06746 1/20 0.38
▸ HTT P42858 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
SCHEMBL19569638 1.00 ATF4 (0.48) ATF4SMYD3KDM4EPOLBHTT
SCHEMBL30961489 0.93 ATF4 (0.51) ATF4KDM4E
SCHEMBL20999735 0.93 ATF4 (0.51) ATF4KDM4E
SCHEMBL19569546 0.93 ATF4 (0.51) ATF4KDM4E
SCHEMBL22396728 0.91 ATF4 (0.50) ATF4
SCHEMBL19569334 0.91 ATF4 (0.50) ATF4
SCHEMBL30025996 0.91 ATF4 (0.50) ATF4
SCHEMBL22396848 0.90 ATF4 (0.49) ATF4
SCHEMBL19569647 0.90 ATF4 (0.49) ATF4
SCHEMBL22396700 0.89 ATF4 (0.53) 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-3704094-A1 MODULATORS OF THE INTEGRATED STRESS PATHWAY Calico Life Sciences LLC (US) 2020-09-09 — — EP disclosed
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