SCHEMBL22453336

SCHEMBL22453336

CN(c1ccc(N(C)c2ccccc2C(=O)O)cc1)c1ccc(C23CC4CC(C)(CC(C)(C4)C2)C3)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PGR P06401 6/20 0.40
▸ EPHX2 P34913 5/20 0.36
▸ RXRA P19793 1/20 0.34
▸ RXRB P28702 1/20 0.34
▸ RXRG P48443 1/20 0.34
▸ ALOX15 P16050 1/20 0.34
▸ HIF1A Q16665 1/20 0.34
▸ EPAS1 Q99814 1/20 0.34
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ GRIN2D O15399 1/20 0.32
▸ GRIN3B O60391 1/20 0.32
▸ GRIN1 Q05586 1/20 0.32
▸ GRIN2A Q12879 1/20 0.32
▸ GRIN2B Q13224 1/20 0.32
▸ GRIN2C Q14957 1/20 0.32
▸ GRIN3A Q8TCU5 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ POLB P06746 1/20 0.32
▸ MAPT P10636 1/20 0.32

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
SCHEMBL22453780 0.88 PGR (0.39) PGREPHX2MEN1KMT2APOLB
SCHEMBL22452516 0.85 HIF1A (0.47) PGREPHX2HIF1AEPAS1MEN1
SCHEMBL22453037 0.78 HIF1A (0.50) PGREPHX2HIF1AEPAS1MEN1
SCHEMBL22453453 0.78 PGR (0.47) PGREPHX2HIF1AEPAS1MEN1
SCHEMBL22452514 0.78 NPC1 (0.47) PGREPHX2HIF1AEPAS1MEN1
SCHEMBL22452984 0.76 PGR (0.55) PGREPHX2HIF1AEPAS1KMT2A
SCHEMBL22453297 0.75 HIF1A (0.42) PGREPHX2HIF1AEPAS1MEN1
SCHEMBL22453282 0.75 HIF1A (0.44) PGRRXRARXRBRXRGHIF1A
SCHEMBL22452523 0.74 HIF1A (0.42) PGRHIF1AEPAS1MEN1KMT2A
SCHEMBL22452805 0.74 FABP4 (0.47) PGREPHX2ALOX15HIF1AEPAS1

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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