SCHEMBL7701050

SCHEMBL7701050

CCS(=O)(=O)N(C(N)=O)S(=O)(=O)CC

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.35
CA2 P00918 2/20 0.35
CA12 O43570 1/20 0.35
CA14 Q9ULX7 1/20 0.35
ALOX15 P16050 2/20 0.32
CES2 O00748 1/20 0.30
CES1 P23141 1/20 0.30
LMNA P02545 1/20 0.30
BLM P54132 1/20 0.30
PMP22 Q01453 1/20 0.30

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
SCHEMBL2350216 0.82 CA2 (0.41) CA2CES2CES1
SCHEMBL7700023 0.76 CA1 (0.33) CA1CA2CA12CA14ALOX15
SCHEMBL22444372 0.74 FFAR3 (0.36) CA1CA2CA12CA14ALOX15
SCHEMBL585350 0.71 CA1 (0.33) CA1ALOX15LMNABLMPMP22
SCHEMBL11513667 0.67 ALOX15 (0.30) ALOX15
SCHEMBL27564171 0.67 BLM (0.33) CA1CA2ALOX15LMNABLM
SCHEMBL4573542 0.65 CA1 (0.31) CA1CA2
Butane SCHEMBL147084 0.64
Urea SCHEMBL28190948 0.63 TDP1 (0.43) CA1CA2ALOX15CES2CES1
Propane SCHEMBL27521159 0.63

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-2002070507-A2 GLYCORTICOID RECEPTOR ANTAGONISTS FOR TREATMENT OF DIABETES ABBOTT LABORATORIES (US) 2002-09-12 WO claimed