SCHEMBL22791528

SCHEMBL22791528

CC1C2(CC(=O)O)CC1(NC(=O)c1n[nH]c3cccc(Cc4ccc(C(F)(F)F)cc4)c13)[C@H]2C

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 1/20 0.36
▸ CRHR1 P34998 2/20 0.34
▸ HIF1A Q16665 2/20 0.33
▸ EPAS1 Q99814 2/20 0.33
▸ MAPK10 P53779 2/20 0.33
▸ EGLN1 Q9GZT9 1/20 0.33
▸ HDAC6 Q9UBN7 1/20 0.32
▸ HTR1A P08908 2/20 0.32
▸ DRD2 P14416 2/20 0.32
▸ HTR2A P28223 2/20 0.32
▸ ABL1 P00519 2/20 0.31
▸ BCR P11274 2/20 0.31
▸ FAAH O00519 1/20 0.31
▸ PPARD Q03181 2/20 0.31
▸ PPARA Q07869 1/20 0.31
▸ KDR P35968 1/20 0.31
▸ EPHB4 P54760 1/20 0.31
▸ TEK Q02763 1/20 0.31

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
SCHEMBL22791540 0.87 GSK3B (0.36) GSK3BCRHR1HIF1AEPAS1MAPK10
SCHEMBL22776728 0.84 HIF1A (0.35) GSK3BCRHR1HIF1AEPAS1MAPK10
SCHEMBL29527365 0.84 HIF1A (0.35) GSK3BCRHR1HIF1AEPAS1MAPK10
SCHEMBL22791469 0.81 GSK3B (0.38) GSK3BCRHR1HIF1AEPAS1MAPK10
SCHEMBL22791527 0.81 GSK3B (0.38) GSK3BCRHR1HIF1AEPAS1MAPK10
SCHEMBL22791354 0.79 YTHDC1 (0.46) GSK3BCRHR1HIF1AEPAS1MAPK10
SCHEMBL22776597 0.78 GSK3B (0.38) GSK3BCRHR1HIF1AEPAS1MAPK10
SCHEMBL29614550 0.78 GSK3B (0.38) GSK3BCRHR1HIF1AEPAS1MAPK10
SCHEMBL22791342 0.78 PDE4A (0.35) —
SCHEMBL22791543 0.78 GSK3B (0.34) GSK3BCRHR1HIF1AEPAS1MAPK10

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-2020251957-A1 PROSTAGLANDIN E2 RECEPTOR 4 ANTAGONISTS AND USES THEREOF TEON THERAPEUTICS, INC. (US) 2020-12-17 — — WO disclosed
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