SCHEMBL22453783

SCHEMBL22453783

COC(=O)c1ccccc1Nc1ccc(C(=O)N(C)c2ccc(C34CC5CC(C3)C(C5)C4)cc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ SIRT2 Q8IXJ6 2/20 0.49
▸ PGR P06401 2/20 0.45
▸ MAPT P10636 1/20 0.45
▸ ALOX15 P16050 1/20 0.45
▸ HIF1A Q16665 7/20 0.40
▸ LMNA P02545 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ RCE1 Q9Y256 1/20 0.40
▸ EPHX2 P34913 1/20 0.39
▸ AURKA O14965 1/20 0.39
▸ NPC1 O15118 1/20 0.38
▸ EPAS1 Q99814 3/20 0.38
▸ MDH1 P40925 2/20 0.37
▸ MDH2 P40926 2/20 0.37
▸ EP300 Q09472 1/20 0.37
▸ TSHR P16473 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ TARBP2 Q15633 1/20 0.36

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
SCHEMBL22453454 0.85 SIRT2 (0.56) SIRT2PGRMAPTHIF1ALMNA
SCHEMBL22452503 0.83 MAPT (0.58) SIRT2MAPTALOX15HIF1ALMNA
SCHEMBL22452673 0.81 PGR (0.50) PGRHIF1ALMNAHTTNPSR1
SCHEMBL22453221 0.81 HIF1A (0.51) SIRT2PGRMAPTALOX15HIF1A
SCHEMBL22452577 0.81 HIF1A (0.51) SIRT2PGRMAPTALOX15HIF1A
SCHEMBL22453337 0.81 HIF1A (0.46) PGRHIF1AEPHX2NPC1EPAS1
SCHEMBL22452652 0.79 EPHX2 (0.61) SIRT2MAPTALOX15HIF1ALMNA
SCHEMBL22452507 0.79 MAPT (0.53) SIRT2MAPTALOX15HIF1AEPHX2
SCHEMBL22452483 0.79 MAPT (0.44) SIRT2MAPTALOX15HIF1ALMNA
SCHEMBL22452501 0.78 MAPT (0.55) SIRT2MAPTALOX15HIF1ANPSR1

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-2020190774-A1 NOVEL SMALL MOLECULE INHIBITORS OF TEAD TRANSCRIPTION FACTORS THE GENERAL HOSPITAL CORPORATION (US) 2020-09-24 — — WO disclosed
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