SCHEMBL22453037

SCHEMBL22453037

CN(c1ccc(Oc2ccc(C34CC5CC(CC(C5)C3)C4)cc2)cc1)c1ccccc1C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ HIF1A Q16665 6/20 0.50
▸ EPAS1 Q99814 3/20 0.50
▸ CASP2 P42575 1/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ LMNA P02545 3/20 0.41
▸ HTT P42858 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ RCE1 Q9Y256 1/20 0.41
▸ PGR P06401 2/20 0.40
▸ KDM4E B2RXH2 1/20 0.39
▸ EPHX2 P34913 1/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ SERPINE1 P05121 1/20 0.38
▸ GPR55 Q9Y2T6 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
SCHEMBL22452516 0.92 HIF1A (0.47) HIF1AEPAS1CASP2KMT2AMEN1
SCHEMBL22452667 0.89 HIF1A (0.44) HIF1AEPAS1CASP2KMT2AMEN1
SCHEMBL22452819 0.87 HIF1A (0.41) HIF1AEPAS1KMT2ALMNAHTT
SCHEMBL22452514 0.87 NPC1 (0.47) HIF1AEPAS1CASP2KMT2AMEN1
SCHEMBL22453453 0.87 PGR (0.47) HIF1AEPAS1CASP2KMT2AMEN1
SCHEMBL22452984 0.85 PGR (0.55) HIF1AEPAS1KMT2ALMNAHTT
SCHEMBL22452504 0.84 HIF1A (0.43) HIF1AEPAS1CASP2KMT2AMEN1
SCHEMBL22452487 0.83 HIF1A (0.47) HIF1AEPAS1CASP2KMT2AMEN1
SCHEMBL22452523 0.83 HIF1A (0.42) HIF1AEPAS1CASP2KMT2AMEN1
SCHEMBL22453297 0.81 HIF1A (0.42) HIF1AEPAS1CASP2KMT2AMEN1

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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