SCHEMBL22452504

SCHEMBL22452504

CN(c1ccc(N2CC(Oc3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2)cc1)c1ccccc1C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ HIF1A Q16665 1/20 0.43
▸ EPAS1 Q99814 1/20 0.43
▸ NAMPT P43490 1/20 0.39
▸ ACACB O00763 9/20 0.38
▸ FFAR4 Q5NUL3 1/20 0.37
▸ CASP2 P42575 1/20 0.36
▸ LMNA P02545 2/20 0.36
▸ GFER P55789 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ RCE1 Q9Y256 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ HSD11B1 P28845 1/20 0.35
▸ PGR P06401 1/20 0.35

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
SCHEMBL22453367 0.91 ACACB (0.38) HIF1AEPAS1NAMPTACACBCASP2
SCHEMBL22453037 0.84 HIF1A (0.50) HIF1AEPAS1CASP2LMNAHTT
SCHEMBL22453041 0.84 NAMPT (0.35) NAMPTACACBFFAR4GFER
SCHEMBL22452516 0.83 HIF1A (0.47) HIF1AEPAS1CASP2LMNAHTT
SCHEMBL22452514 0.78 NPC1 (0.47) HIF1AEPAS1CASP2LMNAHTT
SCHEMBL22453453 0.78 PGR (0.47) HIF1AEPAS1CASP2LMNAHTT
SCHEMBL22452984 0.77 PGR (0.55) HIF1AEPAS1LMNAHTTNPSR1
SCHEMBL22452819 0.75 HIF1A (0.41) HIF1AEPAS1LMNAHTTNPSR1
SCHEMBL22452523 0.75 HIF1A (0.42) HIF1AEPAS1CASP2LMNAHTT
SCHEMBL22452667 0.75 HIF1A (0.44) HIF1AEPAS1CASP2LMNAHTT

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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