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SCHEMBL22855365

SCHEMBL22855365

CC(CCC(=O)OCc1ccccc1)C1CCC2C3CCC4CC(OC(=O)CCC(=O)OCc5ccccc5)CCC4(C)C3CCC12C

nearest known ligand 0.72

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 1/20 0.65
▸ CA2 P00918 1/20 0.65
▸ VDR P11473 3/20 0.63
▸ USP2 O75604 1/20 0.63
▸ ST6GAL1 P15907 1/20 0.61
▸ ABCC4 O15439 1/20 0.57
▸ CDC25A P30304 1/20 0.56

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
SCHEMBL22855347 0.98 VDR (0.65) CA1CA2VDRUSP2ST6GAL1
SCHEMBL22855078 0.95 CA1 (0.61) CA1CA2VDRUSP2ST6GAL1
SCHEMBL22855458 0.95 CA1 (0.60) CA1CA2VDRUSP2ST6GAL1
SCHEMBL23710378 0.91 CA1 (0.60) CA1CA2VDRUSP2ST6GAL1
SCHEMBL30103329 0.91 CA1 (0.60) CA1CA2VDRUSP2ST6GAL1
SCHEMBL23710526 0.91 CA1 (0.60) CA1CA2VDRUSP2ST6GAL1
SCHEMBL22855503 0.91 CA1 (0.55) CA1CA2VDRUSP2ST6GAL1
SCHEMBL10611670 0.90 CA1 (0.59) CA1CA2VDRUSP2ST6GAL1
SCHEMBL22855051 0.90 CA1 (0.57) CA1CA2VDRUSP2ST6GAL1
SCHEMBL10518704 0.89 CA1 (0.79) CA1CA2VDRUSP2

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-2020260558-A1 3-MODIFIED ISO-/ISOALLO-LITHOCHOLIC ACID DERIVATIVES OR THEIR HOMO-ANALOGS FOR PREVENTING AND TREATING CLOSTRIDIOIDES DIFFICILE-ASSOCIATED DISEASES PHENEX PHARMACEUTICALS AG (DE) 2020-12-30 — — WO disclosed
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