SCHEMBL22453341

SCHEMBL22453341

O=C(O)c1ccccc1Oc1ccc(C(O)Nc2ccc(C34CC5CC(CC(C5)C3)C4)cc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HIF1A Q16665 4/20 0.49
▸ EPAS1 Q99814 2/20 0.49
▸ KDM4E B2RXH2 1/20 0.44
▸ NPC1 O15118 1/20 0.41
▸ EPHX2 P34913 5/20 0.41
▸ MEN1 O00255 3/20 0.39
▸ KMT2A Q03164 3/20 0.39
▸ P2RY10 O00398 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ FAAH O00519 1/20 0.38
▸ CNR2 P34972 1/20 0.38
▸ POLB P06746 2/20 0.38
▸ MITF O75030 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ SERPINE1 P05121 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ GAA P10253 1/20 0.37
▸ CRHBP P24387 1/20 0.37
▸ FNTA P49354 1/20 0.37

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
SCHEMBL22453806 0.83 HIF1A (0.51) HIF1AEPAS1KDM4ENPC1EPHX2
SCHEMBL22452696 0.82 HIF1A (0.53) HIF1AEPAS1KDM4ENPC1EPHX2
SCHEMBL2746775 0.80 KDM4E (0.50) HIF1AEPAS1KDM4EEPHX2MEN1
SCHEMBL22453692 0.79 NPC1 (0.41) HIF1AEPAS1KDM4ENPC1EPHX2
SCHEMBL22453291 0.76 SERPINE1 (0.52) HIF1AEPAS1NPC1EPHX2CNR2
SCHEMBL22453693 0.73 HIF1A (0.54) HIF1AEPAS1NPC1EPHX2MEN1
SCHEMBL22452811 0.72 HIF1A (0.52) HIF1AEPAS1EPHX2MEN1KMT2A
SCHEMBL22452760 0.70 HIF1A (0.67) HIF1AEPAS1NPC1MEN1KMT2A
SCHEMBL2746811 0.70 KDM4E (0.47) HIF1AEPAS1KDM4EEPHX2MEN1
SCHEMBL31555348 0.69 HIF1A (0.60) HIF1AEPAS1KDM4ENPC1EPHX2

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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