SCHEMBL22990532

SCHEMBL22990532

O=C(COC1CCCCCCC1)NC12CC(C3CCCCCCCC3)(C1)C2

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ATF4 P18848 13/20 0.54
▸ PRMT5 O14744 1/20 0.34
▸ WDR77 Q9BQA1 1/20 0.34
▸ EPHX2 P34913 2/20 0.33
▸ NPSR1 Q6W5P4 2/20 0.32
▸ EPHX1 P07099 1/20 0.32
▸ ALDH1A1 P00352 2/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ THRB P10828 1/20 0.31
▸ HTT P42858 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL22990530 1.00 ATF4 (0.54) ATF4PRMT5WDR77EPHX2NPSR1
SCHEMBL23624612 0.94 ATF4 (0.50) ATF4PRMT5WDR77EPHX2
SCHEMBL23624616 0.94 ATF4 (0.50) ATF4PRMT5WDR77EPHX2
SCHEMBL23624517 0.94 ATF4 (0.50) ATF4PRMT5WDR77EPHX2
SCHEMBL23624519 0.94 ATF4 (0.50) ATF4PRMT5WDR77EPHX2
SCHEMBL20998373 0.91 ATF4 (0.47) ATF4PRMT5WDR77EPHX2
SCHEMBL20998423 0.89 ATF4 (0.46) ATF4PRMT5WDR77EPHX2
SCHEMBL23624622 0.88 ATF4 (0.48) ATF4PRMT5WDR77EPHX2NPSR1
SCHEMBL22627552 0.83 ATF4 (0.55) ATF4PRMT5WDR77EPHX2NPSR1
SCHEMBL23624525 0.83 ATF4 (0.44) ATF4PRMT5WDR77EPHX2

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-3778575-A1 MODULATORS OF THE INTEGRATED STRESS PATHWAY Calico Life Sciences LLC (US) 2021-02-17 — — EP disclosed
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