SCHEMBL22902138

SCHEMBL22902138

CCCCC(CC)COc1cc2c3c(ccc4c5ccc6c7c(cc(OCC(C)C)c(c1c34)c75)C(=O)N(C)C6=O)C(=O)N(C)C2=O

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PRMT1 Q99873 1/20 0.34
▸ ALDH1A1 P00352 6/20 0.33
▸ TP53 P04637 3/20 0.33
▸ MAPK1 P28482 2/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ CYP3A4 P08684 3/20 0.33
▸ CA2 P00918 1/20 0.33
▸ TSHR P16473 2/20 0.32
▸ MAPT P10636 3/20 0.31
▸ MEN1 O00255 2/20 0.31
▸ KMT2A Q03164 2/20 0.31
▸ L3MBTL1 Q9Y468 2/20 0.31
▸ STAT3 P40763 1/20 0.31
▸ HIF1A Q16665 1/20 0.31
▸ KEAP1 Q14145 2/20 0.31
▸ NFE2L2 Q16236 2/20 0.31
▸ LMNA P02545 2/20 0.31
▸ TLR9 Q9NR96 1/20 0.31
▸ USP2 O75604 1/20 0.30
▸ ATM Q13315 1/20 0.30

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
SCHEMBL21376714 0.96 PRMT1 (0.36) PRMT1ALDH1A1TP53MAPK1SMN1; SMN2
SCHEMBL21846596 0.87 PRMT1 (0.40) PRMT1ALDH1A1MAPK1MAPTMEN1
SCHEMBL17190557 0.87 STAT3 (0.41) ALDH1A1MAPK1SMN1; SMN2CYP3A4CA2
SCHEMBL20182370 0.84 TP53 (0.31) PRMT1ALDH1A1TP53MAPK1SMN1; SMN2
SCHEMBL21846597 0.82 PPARA (0.34) ALDH1A1TSHRKDM4EHPGDHSD17B10
SCHEMBL17190561 0.80 FAAH (0.38) ALDH1A1KDM4EHPGD
SCHEMBL21892011 0.76 — —
SCHEMBL17484031 0.76 TERT (0.32) MAPTSTAT3HIF1A
SCHEMBL21846601 0.74 PRMT1 (0.33) PRMT1ALDH1A1MAPTMEN1KMT2A
SCHEMBL17483961 0.72 TERT (0.30) SMN1; SMN2MAPT

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-3623451-B1 COMPOUND MERCK PATENT GMBH (DE) 2021-01-20 — — EP disclosed
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