SCHEMBL4746084

SCHEMBL4746084

Cc1cc(C)c(S(=O)(=O)C(N)C2CC2C(N)S(=O)(=O)c2c(C)cc(C)cc2C)c(C)c1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
F2 P00734 3/20 0.40
PRSS1 P07477 3/20 0.40
PRSS2 P07478 3/20 0.40
PRSS3 P35030 3/20 0.40
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
MMP1 P03956 1/20 0.39
MMP2 P08253 1/20 0.39
MMP9 P14780 1/20 0.39
MMP8 P22894 1/20 0.39
MMP13 P45452 1/20 0.39
RAPGEF4 Q8WZA2 5/20 0.38
NPSR1 Q6W5P4 2/20 0.38
NR3C1 P04150 3/20 0.36
PGR P06401 3/20 0.36
NR3C2 P08235 3/20 0.36
GAA P10253 1/20 0.35
EBP Q15125 3/20 0.35
DHCR7 Q9UBM7 3/20 0.35

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
SCHEMBL4821971 0.72 F2 (0.43) F2PRSS1PRSS2PRSS3CA1
SCHEMBL10050619 0.70 L3MBTL1 (0.55) F2PRSS1PRSS2PRSS3CA1
SCHEMBL23832438 0.68 F2 (0.47) F2PRSS1PRSS2PRSS3CA1
SCHEMBL27271507 0.67 CA1 (0.45) F2PRSS1PRSS2PRSS3CA1
SCHEMBL7374081 0.67 SLC1A3 (0.45) F2PRSS1PRSS2PRSS3CA1
Hydroxyamine SCHEMBL259333 0.66 CA1 (0.54) F2PRSS1PRSS2PRSS3CA1
SCHEMBL23788 0.65 CA1 (0.58) F2PRSS1PRSS2PRSS3CA1
Ammonia Solution, Strong SCHEMBL5999943 0.65 CA1 (0.58) F2PRSS1PRSS2PRSS3CA1
SCHEMBL7930818 0.65 CA1 (0.58) F2PRSS1PRSS2PRSS3CA1
SCHEMBL10846507 0.65 CA1 (0.58) F2PRSS1PRSS2PRSS3CA1

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-2008112251-A1 CYCLOPROPYL-CONTAINING POLYAMINE ANALOGS AS DISEASE THERAPIES PROGEN PHARMACEUTICALS, INC. (US) 2008-09-18 WO disclosed