SCHEMBL4735838

SCHEMBL4735838

CC[C@@H](CSc1ccccc1)Nc1ccccc1S(N)(=O)=O

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BCL2L1 Q07817 2/20 0.45
CA2 P00918 10/20 0.43
CA1 P00915 9/20 0.43
PTGES2 Q9H7Z7 6/20 0.43
CA9 Q16790 4/20 0.43
CA12 O43570 2/20 0.43
CA7 P43166 2/20 0.43
CA6 P23280 1/20 0.43
CA5A P35218 1/20 0.43
CA5B Q9Y2D0 1/20 0.43
MAOA P21397 1/20 0.40
MAOB P27338 1/20 0.40
CA4 P22748 1/20 0.38

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
SCHEMBL4733710 0.80 BCL2L1 (0.43) BCL2L1CA2CA1PTGES2CA9
SCHEMBL29482087 0.80 BCL2L1 (0.68) BCL2L1CA2CA1CA9CA7
SCHEMBL4733878 0.78 BCL2L1 (0.59) BCL2L1CA2CA1
SCHEMBL3663913 0.78 CA2 (0.42) BCL2L1CA2CA1PTGES2CA9
SCHEMBL4731200 0.77 BCL2L1 (0.57) BCL2L1CA2CA1
SCHEMBL19491759 0.76 BCL2L1 (0.52) BCL2L1
SCHEMBL3664099 0.76 BCL2L1 (0.40) BCL2L1CA2CA1PTGES2CA9
SCHEMBL3949205 0.75 BCL2L1 (0.40) BCL2L1CA2CA1CA4
SCHEMBL6526600 0.75 CA2 (0.53) CA2CA1PTGES2CA9CA12
SCHEMBL25773070 0.74 BCL2L1 (0.51) BCL2L1

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-2008064116-A2 METHOD OF PREVENTING OR TREATING ORGAN, HEMATOPOIETIC STEM CELL OR BONE MARROW TRANSPLANT REJECTION ABBOTT LABORATORIES (US) 2008-05-29 WO disclosed