SCHEMBL31084239

SCHEMBL31084239

O=C(N[C@H](Cc1cccnc1)C(=O)O)OCc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GPR132 Q9UNW8 4/20 0.58
CYP3A4 P08684 1/20 0.57
CTSB P07858 3/20 0.56
CTSS P25774 1/20 0.56
CTSK P43235 1/20 0.56
CMKLR2 P46091 1/20 0.55
CMKLR1 Q99788 1/20 0.55
ITGB3 P05106 4/20 0.55
ITGA2B P08514 4/20 0.55
TACR1 P25103 2/20 0.54
CTSL P07711 2/20 0.54

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
SCHEMBL5634418 1.00 GPR132 (0.58) GPR132CYP3A4CTSBCTSSCTSK
SCHEMBL5634425 1.00 GPR132 (0.58) GPR132CYP3A4CTSBCTSSCTSK
SCHEMBL20467724 0.92 ITGB3 (0.53) GPR132CYP3A4CTSBCTSSCTSK
SCHEMBL21671207 0.92 ITGB3 (0.53) GPR132CYP3A4CTSBCTSSCTSK
SCHEMBL30918338 0.89 CTSL (0.55) GPR132CTSBCTSSCTSKCTSL
SCHEMBL13323787 0.89 CTSB (0.55) GPR132CYP3A4CTSBCTSSCTSK
SCHEMBL4576533 0.88 CTSB (0.59) CYP3A4CTSBCTSSCTSKITGB3
SCHEMBL9558096 0.87 ITGB3 (0.60) GPR132CTSBCTSSCTSKITGB3
SCHEMBL220648 0.86 TACR1 (0.68) CTSBCTSSCTSKITGB3ITGA2B
SCHEMBL7372270 0.86 TACR1 (0.68) CTSBCTSSCTSKITGB3ITGA2B

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-118561901-A Compound containing bis ((siloxy) phenyl) methane structure and preparation method and application thereof 南京工业大学 2024-08-30 CN disclosed