SCHEMBL31208009

SCHEMBL31208009

CCc1ccc(C2CCCN(C(=O)OC(C)(C)C)C2)nc1OC

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TRPV3 Q8NET8 3/20 0.52
▸ PRMT5 O14744 2/20 0.48
▸ ALOX5AP P20292 2/20 0.43
▸ FEN1 P39748 2/20 0.43
▸ HPGDS O60760 1/20 0.43
▸ PDE4B Q07343 1/20 0.42
▸ JAK2 O60674 1/20 0.42
▸ JAK1 P23458 1/20 0.42
▸ ALDH1A1 P00352 2/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ GLA P06280 1/20 0.42
▸ HPGD P15428 1/20 0.42
▸ RECQL P46063 1/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ HTT P42858 1/20 0.40
▸ GLS O94925 1/20 0.39
▸ USP30 Q70CQ3 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
SCHEMBL25363476 1.00 TRPV3 (0.52) TRPV3PRMT5ALOX5APFEN1HPGDS
SCHEMBL26024709 1.00 TRPV3 (0.52) TRPV3PRMT5ALOX5APFEN1HPGDS
SCHEMBL30496090 0.95 TRPV3 (0.52) TRPV3PRMT5HPGDSPDE4BALDH1A1
SCHEMBL25359546 0.95 TRPV3 (0.52) TRPV3PRMT5HPGDSPDE4BALDH1A1
SCHEMBL25360049 0.95 TRPV3 (0.52) TRPV3PRMT5HPGDSPDE4BALDH1A1
SCHEMBL25359466 0.86 TRPV3 (0.53) TRPV3PRMT5ALOX5APFEN1HPGDS
SCHEMBL31208013 0.86 TRPV3 (0.51) TRPV3PRMT5ALOX5APFEN1HPGDS
SCHEMBL25363244 0.86 TRPV3 (0.51) TRPV3PRMT5ALOX5APFEN1HPGDS
SCHEMBL31208025 0.86 TRPV3 (0.53) TRPV3PRMT5ALOX5APFEN1HPGDS
SCHEMBL26024708 0.86 TRPV3 (0.53) TRPV3PRMT5ALOX5APFEN1HPGDS

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
CN-118973578-A Pharmaceutical compounds 杜克街生物有限公司 2024-11-15 — — CN disclosed
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