SCHEMBL3663692

SCHEMBL3663692

CCN(CC)CC[C@H](CSc1ccccc1)Nc1c(S(N)(=O)=O)cccc1S(=O)(=O)C(F)(F)F

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BCL2L1 Q07817 15/20 0.47
BCL2 P10415 13/20 0.40
BCL2L2 Q92843 2/20 0.37
MCL1 Q07820 1/20 0.37
NR3C1 P04150 1/20 0.33
PGR P06401 1/20 0.33
NR3C2 P08235 1/20 0.33
CACNA2D1 P54289 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA4 P22748 1/20 0.32
CA7 P43166 1/20 0.32
CA9 Q16790 1/20 0.32

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
SCHEMBL3661881 0.90 BCL2L1 (0.52) BCL2L1BCL2BCL2L2MCL1
SCHEMBL3662130 0.89 BCL2L1 (0.47) BCL2L1BCL2BCL2L2MCL1NR3C1
SCHEMBL3665619 0.85 BCL2L1 (0.46) BCL2L1BCL2BCL2L2MCL1
SCHEMBL19145266 0.84 BCL2L1 (0.66) BCL2L1BCL2BCL2L2MCL1
SCHEMBL3658781 0.80 BCL2L1 (0.63) BCL2L1BCL2
SCHEMBL25714995 0.79 BCL2L1 (0.62) BCL2L1BCL2BCL2L2MCL1
SCHEMBL31570859 0.79 BCL2L1 (0.62) BCL2L1BCL2BCL2L2MCL1
SCHEMBL3661122 0.78 BCL2L1 (0.52) BCL2L1BCL2BCL2L2CA1CA2
SCHEMBL3664204 0.76 BCL2L1 (0.56) BCL2L1BCL2
SCHEMBL26775921 0.75 BCL2L1 (0.54) BCL2L1BCL2BCL2L2MCL1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2231159-A1 METHOD OF TREATING ARTHRITIS Abbott Laboratories (US) 2010-09-29 EP disclosed
WO-2009064938-A1 METHOD OF TREATING ARTHRITIS ABBOTT LABORATORIES (US) 2009-05-22 WO disclosed