SCHEMBL7400265

SCHEMBL7400265

CCCCOc1nsc(N[C@@H](CC(C)C)C(N)=O)n1.CCCCOc1nsc(N[C@@H](Cc2ccccc2)C(N)=O)n1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FCER2 P06734 5/20 0.41
MMP1 P03956 2/20 0.40
CXCR2 P25025 1/20 0.40
CX3CR1 P49238 1/20 0.40
PTPN1 P18031 1/20 0.38
REN P00797 2/20 0.38
ELANE P08246 1/20 0.38
PSMB5 P28074 3/20 0.38
CNR1 P21554 3/20 0.38
CNR2 P34972 3/20 0.38
ITGB1 P05556 1/20 0.38
ITGA4 P13612 1/20 0.38
CTSD P07339 1/20 0.37

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
SCHEMBL7637777 0.94 ELANE (0.42) FCER2ELANECNR1CNR2ITGB1
SCHEMBL7644394 0.90 SYK (0.37) CNR1CNR2
SCHEMBL7643027 0.85 ACE (0.38) CNR1CNR2ITGB1ITGA4
SCHEMBL7409905 0.80 ACE (0.41) PTPN1CNR1CNR2ITGB1ITGA4
SCHEMBL7408062 0.77 XIAP (0.37)
SCHEMBL7642932 0.73 XIAP (0.34)
SCHEMBL7400637 0.72 SMN1; SMN2 (0.33)
SCHEMBL7644396 0.71 XIAP (0.43)
SCHEMBL7640967 0.71 ATM (0.47) MMP1ELANE
SCHEMBL7288109 0.69 ACE (0.54) CNR1CNR2

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-2001090095-A1 THIADIAZOLE COMPOUNDS USEFUL AS INHIBITORS OF CYSTEINE ACTIVITY DEPENDENT ENZYMES APOTEX INC. (CA) 2001-11-29 WO disclosed