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SCHEMBL20729652

SCHEMBL20729652

COC(=O)C1C2OCC=CCC2CN1C(=O)OC(C)(C)C

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ NR1H2 P55055 2/20 0.34
▸ NR1H3 Q13133 1/20 0.34
▸ PTPN1 P18031 1/20 0.33
▸ PDE4B Q07343 1/20 0.33
▸ PREP P48147 1/20 0.33
▸ KLK7 P49862 1/20 0.32
▸ CCR2 P41597 1/20 0.31
▸ HSD17B10 Q99714 1/20 0.30

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
SCHEMBL20729593 1.00 NR1H2 (0.34) NR1H2NR1H3PTPN1PDE4BPREP
SCHEMBL20729517 1.00 NR1H2 (0.34) NR1H2NR1H3PTPN1PDE4BPREP
SCHEMBL20729483 0.88 HSD17B10 (0.36) NR1H2PREPKLK7HSD17B10
SCHEMBL26332831 0.84 NR1H2 (0.36) NR1H2PREP
SCHEMBL20729635 0.82 NR1H2 (0.35) NR1H2NR1H3PTPN1PDE4BPREP
SCHEMBL20729674 0.82 NR1H2 (0.35) NR1H2NR1H3PTPN1PDE4BPREP
SCHEMBL4301733 0.82 NR1H2 (0.36) NR1H2NR1H3PTPN1PDE4BPREP
SCHEMBL24299491 0.80 AR (0.34) NR1H2PREPHSD17B10
SCHEMBL22604110 0.80 NR1H2 (0.35) NR1H2NR1H3PTPN1PDE4BPREP
SCHEMBL20729519 0.80 NR1H2 (0.35) NR1H2NR1H3PTPN1PDE4BPREP

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-2019032936-A1 LINCONSAMIDE ANTIBIOTICS AND USES THEREOF PRESIDENT ADN FELLOWS OF HARVARD COLLEGE (US) 2019-02-14 — — WO disclosed