SCHEMBL31171348

SCHEMBL31171348

COC(=O)[C@H]1CC[C@H](NC(=O)c2cnc(Cl)cc2Cl)CC1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 2/20 0.47
▸ IRAK4 Q9NWZ3 5/20 0.46
▸ P2RX7 Q99572 1/20 0.44
▸ RAB9A P51151 3/20 0.42
▸ NPC1 O15118 2/20 0.42
▸ PDGFRB P09619 1/20 0.42
▸ PDGFRA P16234 1/20 0.42
▸ PDE4B Q07343 3/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ CFTR P13569 1/20 0.40
▸ CHRM4 P08173 1/20 0.40
▸ HTR4 Q13639 1/20 0.40
▸ PDE5A O76074 1/20 0.39
▸ SMYD3 Q9H7B4 1/20 0.39

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
SCHEMBL30606157 0.88 HPGD (0.58) HPGDIRAK4P2RX7RAB9ANPC1
SCHEMBL26100982 0.88 HPGD (0.58) HPGDIRAK4P2RX7RAB9ANPC1
SCHEMBL21080890 0.85 HPGD (0.52) HPGDIRAK4P2RX7RAB9ANPC1
SCHEMBL21080891 0.85 HPGD (0.52) HPGDIRAK4P2RX7RAB9ANPC1
SCHEMBL17139939 0.84 IRAK4 (0.62) IRAK4
SCHEMBL15714157 0.84 IRAK4 (0.62) IRAK4
SCHEMBL21161737 0.81 HPGD (0.46) HPGDRAB9ANPC1PDE4B
SCHEMBL30751129 0.81 HPGD (0.46) HPGDRAB9ANPC1PDE4B
SCHEMBL31171408 0.79 HPGD (0.51) HPGDIRAK4RAB9ANPC1PDE4B
SCHEMBL1849475 0.79 CRHR1 (0.59) —

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-2024211969-A1 PPARG MODULATORS Setonix Pharmaceuticals Pty Ltd (AU) 2024-10-17 — — WO disclosed
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