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SCHEMBL5239768

SCHEMBL5239768

CC(C)COc1c(CO)n(CC(C)(C)C)c(=O)c2cc(Cl)c(Cl)cc12

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 1/20 0.34
▸ AAK1 Q2M2I8 2/20 0.32
▸ TSHR P16473 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ KRAS P01116 1/20 0.31
▸ PTGS1 P23219 1/20 0.30
▸ POLB P06746 1/20 0.30
▸ GAA P10253 1/20 0.30
▸ NPSR1 Q6W5P4 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
SCHEMBL6108503 0.91 DPP4 (0.33) DPP4AAK1TSHRTDP1L3MBTL1
SCHEMBL5235534 0.89 DPP4 (0.35) DPP4AAK1
Hydrochloric Acid SCHEMBL5239499 0.87 DPP4 (0.43) DPP4AAK1
SCHEMBL5232702 0.85 DPP4 (0.33) DPP4AAK1TSHRTDP1L3MBTL1
SCHEMBL5237079 0.84 SMN1; SMN2 (0.35) DPP4KRASPOLBGAANPSR1
SCHEMBL6109406 0.83 DPP4 (0.32) DPP4PTGS1
SCHEMBL5235402 0.83 PTGS1 (0.36) DPP4AAK1TSHRTDP1L3MBTL1
SCHEMBL5239856 0.81 NPSR1 (0.40) DPP4TSHRTDP1L3MBTL1GAA
SCHEMBL5239288 0.79 TSHR (0.36) AAK1TSHRTDP1L3MBTL1POLB
SCHEMBL5232706 0.79 PTGS1 (0.32) DPP4AAK1TSHRTDP1L3MBTL1

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
EP-1355886-B1 FUSED HETEROCYCLIC COMPOUNDS TAKEDA PHARMACEUTICAL (JP) 2007-07-11 — — EP disclosed