SCHEMBL22452696

SCHEMBL22452696

O=C(Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1)c1ccc(Oc2ccccc2C(=O)O)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HIF1A Q16665 4/20 0.53
▸ EPAS1 Q99814 2/20 0.53
▸ SERPINE1 P05121 1/20 0.52
▸ PGR P06401 2/20 0.51
▸ MEN1 O00255 4/20 0.49
▸ KMT2A Q03164 4/20 0.49
▸ RAB9A P51151 1/20 0.49
▸ CYP2C9 P11712 1/20 0.48
▸ POLB P06746 2/20 0.47
▸ MITF O75030 1/20 0.47
▸ LMNA P02545 1/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ NPC1 O15118 1/20 0.47
▸ ALDH1A1 P00352 1/20 0.47
▸ GAA P10253 1/20 0.47
▸ CRHBP P24387 1/20 0.47
▸ FNTA P49354 1/20 0.47
▸ FNTB P49356 1/20 0.47
▸ CRHR2 Q13324 1/20 0.47
▸ EPHX2 P34913 2/20 0.47

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
SCHEMBL22453693 0.90 HIF1A (0.54) HIF1AEPAS1PGRMEN1KMT2A
SCHEMBL22453850 0.86 MEN1 (0.45) HIF1AEPAS1PGRMEN1KMT2A
SCHEMBL22452760 0.84 HIF1A (0.67) HIF1AEPAS1SERPINE1MEN1KMT2A
SCHEMBL22453626 0.84 SERPINE1 (0.65) HIF1AEPAS1SERPINE1PGRMEN1
SCHEMBL22453341 0.82 HIF1A (0.49) HIF1AEPAS1SERPINE1MEN1KMT2A
SCHEMBL22453497 0.82 SERPINE1 (0.57) HIF1AEPAS1SERPINE1PGRMEN1
SCHEMBL22452527 0.82 SERPINE1 (0.57) HIF1AEPAS1SERPINE1PGRMEN1
SCHEMBL2746775 0.81 KDM4E (0.50) HIF1AEPAS1PGRMEN1KMT2A
SCHEMBL22452688 0.79 HIF1A (0.46) HIF1AEPAS1SERPINE1PGRCYP2C9
SCHEMBL22452488 0.78 SERPINE1 (0.64) HIF1AEPAS1SERPINE1PGRMEN1

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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