SCHEMBL10817136

SCHEMBL10817136

C#CCOC(=O)C(Cc1ccc(OOc2ccccc2)c(OOc2ccccc2)c1)NC(=O)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CTSL P07711 6/20 0.47
▸ ACE P12821 1/20 0.44
▸ PTPN1 P18031 3/20 0.43
▸ PTPN2 P17706 1/20 0.42
▸ CDC25B P30305 1/20 0.42
▸ CTSB P07858 2/20 0.42
▸ CTSS P25774 2/20 0.42
▸ CTSK P43235 2/20 0.42
▸ ITGB3 P05106 1/20 0.41
▸ ITGA2B P08514 1/20 0.41
▸ GPR132 Q9UNW8 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ CA2 P00918 1/20 0.41
▸ TACR1 P25103 2/20 0.41
▸ GPR139 Q6DWJ6 1/20 0.40

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
SCHEMBL10817131 0.88 ACE (0.50) CTSLACEPTPN1PTPN2CDC25B
SCHEMBL10805989 0.82 CTSL (0.66) CTSLACEPTPN1CTSBCTSS
SCHEMBL10802761 0.82 CTSL (0.52) CTSLACECTSBCTSSCTSK
SCHEMBL10805078 0.79 CTSL (0.64) CTSLACEPTPN1PTPN2CDC25B
SCHEMBL10802771 0.77 TACR1 (0.47) CTSLACEPTPN1PTPN2CDC25B
SCHEMBL10465688 0.72 ACE (0.57) CTSLACEPTPN1GAARAB9A
SCHEMBL8408864 0.72 ACE (0.64) CTSLACEPTPN1GPR132GAA
SCHEMBL3884012 0.72 ACE (0.55) CTSLACEPTPN1GAARAB9A
SCHEMBL11037416 0.72 GPR132 (0.66) ACEPTPN1PTPN2CDC25BITGB3
SCHEMBL10801723 0.72 CTSL (0.48) CTSLACECTSBCTSSCTSK

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
US-4661510-A FUNGICIDES SYNTEX (U.S.A.) INC. (US) 1987-04-28 — — US disclosed
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