SCHEMBL6720786

SCHEMBL6720786

CCCCOC(=O)C1=C(C)NC(C)=C(C(=O)O)C1c1ccccc1[N+](=O)[O-]

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 2/20 0.68
CACNA1C Q13936 9/20 0.64
CACNA1F O60840 8/20 0.64
CACNA1D Q01668 8/20 0.64
CACNA1S Q13698 8/20 0.64
ADORA3 P0DMS8 3/20 0.64
ABCC4 O15439 2/20 0.64
ABCB11 O95342 2/20 0.64
LMNA P02545 2/20 0.64
CYP1A2 P05177 2/20 0.64
ADORA2A P29274 2/20 0.64
ADORA1 P30542 2/20 0.64
OPRM1 P35372 2/20 0.64
SCN1A P35498 2/20 0.64
HTR2B P41595 2/20 0.64
KCNH2 Q12809 2/20 0.64
SCN5A Q14524 2/20 0.64
SCN2A Q99250 2/20 0.64
SCN3A Q9NY46 2/20 0.64
KDM4E B2RXH2 1/20 0.64

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
SCHEMBL6720781 1.00 CACNA1B (0.68) CACNA1BCACNA1CCACNA1FCACNA1DCACNA1S
SCHEMBL6720778 0.96 CACNA1C (0.69) CACNA1BCACNA1CCACNA1FCACNA1DCACNA1S
SCHEMBL6727797 0.94 CACNA1B (0.70) CACNA1BCACNA1CCACNA1FCACNA1DCACNA1S
SCHEMBL6727790 0.94 CACNA1B (0.70) CACNA1BCACNA1CCACNA1FCACNA1DCACNA1S
SCHEMBL10909420 0.92 ADORA3 (0.77) CACNA1BCACNA1CCACNA1FCACNA1DCACNA1S
SCHEMBL10899664 0.92 CACNA1C (0.66) CACNA1BCACNA1CCACNA1FCACNA1DCACNA1S
SCHEMBL7266381 0.90 CACNA1B (0.74) CACNA1BCACNA1CCACNA1FCACNA1DCACNA1S
SCHEMBL7412221 0.90 CACNA1B (0.74) CACNA1BCACNA1CCACNA1FCACNA1DCACNA1S
SCHEMBL11527403 0.90 CACNA1C (0.60) CACNA1BCACNA1CCACNA1FCACNA1DCACNA1S
SCHEMBL10901098 0.90 CACNA1C (0.66) CACNA1BCACNA1CCACNA1FCACNA1DCACNA1S

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-20040248099-A1 Use of intermediate -conductance potassium channels and modulators for diagnosing and treating diseases having disturbed keratinocyte activity SWITCH BIOTECH AKTIENGESELLSCHAFT (DE) 2004-12-09 US disclosed