SCHEMBL21376714

SCHEMBL21376714

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

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PRMT1 Q99873 1/20 0.36
▸ ALDH1A1 P00352 5/20 0.35
▸ MAPK1 P28482 2/20 0.35
▸ CYP3A4 P08684 3/20 0.35
▸ TP53 P04637 3/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ CA2 P00918 1/20 0.35
▸ TSHR P16473 1/20 0.34
▸ MEN1 O00255 3/20 0.33
▸ KMT2A Q03164 3/20 0.33
▸ MAPT P10636 3/20 0.33
▸ L3MBTL1 Q9Y468 2/20 0.33
▸ STAT3 P40763 1/20 0.33
▸ HIF1A Q16665 1/20 0.33
▸ LMNA P02545 2/20 0.33
▸ USP2 O75604 2/20 0.33
▸ KEAP1 Q14145 2/20 0.33
▸ NFE2L2 Q16236 2/20 0.33
▸ ATM Q13315 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33

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
SCHEMBL22902138 0.96 PRMT1 (0.34) PRMT1ALDH1A1MAPK1CYP3A4TP53
SCHEMBL17190557 0.90 STAT3 (0.41) ALDH1A1MAPK1CYP3A4SMN1; SMN2CA2
SCHEMBL20182370 0.87 TP53 (0.31) PRMT1ALDH1A1MAPK1CYP3A4TP53
SCHEMBL17190561 0.83 FAAH (0.38) ALDH1A1KDM4EHPGD
SCHEMBL21846596 0.81 PRMT1 (0.40) PRMT1ALDH1A1MAPK1MEN1KMT2A
SCHEMBL21846597 0.78 PPARA (0.34) ALDH1A1TSHRKDM4EHPGDHSD17B10
SCHEMBL22142508 0.75 — —
SCHEMBL21846601 0.75 PRMT1 (0.33) PRMT1ALDH1A1MEN1KMT2AMAPT
SCHEMBL12733507 0.74 CYP3A4 (0.45) ALDH1A1MAPK1CYP3A4TP53SMN1; SMN2
SCHEMBL16656516 0.73 STAT3 (0.45) ALDH1A1MAPK1SMN1; SMN2MEN1KMT2A

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
US-20190284474-A1 SWITCHING LAYER FOR USE IN AN OPTICAL SWITCHING ELEMENT MERCK PATENT GMBH (DE) 2019-09-19 — — US disclosed
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