SCHEMBL19569472

SCHEMBL19569472

O=C(CCC12CC(NC(=O)COCc3cccc(Cl)c3)(C1)C2)COc1ccc(Cl)c(Cl)c1

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ATF4 P18848 13/20 0.43
▸ MRGPRX4 Q96LA9 1/20 0.40
▸ HTT P42858 1/20 0.39
▸ FFAR4 Q5NUL3 1/20 0.37
▸ RXRA P19793 1/20 0.37
▸ RXRB P28702 1/20 0.37
▸ RXRG P48443 1/20 0.37
▸ MAOA P21397 1/20 0.37
▸ MAOB P27338 1/20 0.37

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
SCHEMBL19555442 0.89 ATF4 (0.55) ATF4MRGPRX4HTT
SCHEMBL30026324 0.89 ATF4 (0.55) ATF4MRGPRX4HTT
SCHEMBL30024684 0.83 ATF4 (0.51) ATF4MRGPRX4HTT
SCHEMBL19555423 0.83 ATF4 (0.51) ATF4MRGPRX4HTT
SCHEMBL30075981 0.82 ATF4 (0.49) ATF4HTT
SCHEMBL19569585 0.81 ATF4 (0.61) ATF4HTTMAOB
SCHEMBL30025703 0.79 ATF4 (0.50) ATF4MRGPRX4
SCHEMBL19569278 0.79 ATF4 (0.53) ATF4MRGPRX4HTT
SCHEMBL19569469 0.79 ATF4 (0.50) ATF4MRGPRX4
SCHEMBL19555449 0.79 ATF4 (0.53) ATF4HTT

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-2017193034-A1 MODULATORS OF THE INTEGRATED STRESS PATHWAY CALICO LIFE SCIENCES (US) 2017-11-09 — — WO disclosed
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