SCHEMBL22453205

SCHEMBL22453205

COC(=O)c1ccccc1Nc1ccc(Oc2ccc(C34CC5CC(CC(C5)C3)C4)cc2Cl)cc1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 1/20 0.46
▸ ALOX15 P16050 1/20 0.46
▸ PNLIP P16233 7/20 0.43
▸ HIF1A Q16665 8/20 0.42
▸ EPAS1 Q99814 3/20 0.42
▸ MDH1 P40925 2/20 0.41
▸ MDH2 P40926 2/20 0.41
▸ CYP3A4 P08684 1/20 0.40
▸ EPHX2 P34913 1/20 0.39
▸ EP300 Q09472 1/20 0.39
▸ GCGR P47871 1/20 0.39

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
SCHEMBL22452811 0.90 HIF1A (0.52) MAPTPNLIPHIF1AEPAS1EPHX2
SCHEMBL22453525 0.89 MAPT (0.50) MAPTALOX15HIF1AEPAS1MDH1
SCHEMBL22452507 0.88 MAPT (0.53) MAPTALOX15HIF1AEPAS1MDH1
SCHEMBL22453756 0.87 CNR2 (0.49) MAPTPNLIPHIF1AEPAS1MDH1
SCHEMBL22452503 0.84 MAPT (0.58) MAPTALOX15HIF1AEPAS1MDH1
SCHEMBL22452790 0.83 SERPINE1 (0.51) MAPTALOX15HIF1AEPAS1
SCHEMBL22453789 0.83 KMT2A (0.41) PNLIPHIF1AEPAS1MDH1MDH2
SCHEMBL22453774 0.82 LMNA (0.47) MAPTALOX15CYP3A4
SCHEMBL22453680 0.81 SERPINE1 (0.53) MAPTALOX15HIF1A
SCHEMBL22452501 0.81 MAPT (0.55) MAPTALOX15HIF1AEPAS1MDH1

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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