SCHEMBL3662130

SCHEMBL3662130

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

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BCL2L1 Q07817 14/20 0.47
BCL2 P10415 12/20 0.37
BCL2L2 Q92843 2/20 0.37
MCL1 Q07820 1/20 0.37
NR3C1 P04150 1/20 0.34
PGR P06401 1/20 0.34
NR3C2 P08235 1/20 0.34
CA2 P00918 2/20 0.33
CA1 P00915 1/20 0.33
CA4 P22748 1/20 0.33
CA7 P43166 1/20 0.33
CA9 Q16790 1/20 0.33
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33

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 0.91 BCL2L1 (0.52) BCL2L1BCL2BCL2L2MCL1
SCHEMBL3663692 0.89 BCL2L1 (0.47) BCL2L1BCL2BCL2L2MCL1NR3C1
SCHEMBL3665619 0.86 BCL2L1 (0.46) BCL2L1BCL2BCL2L2MCL1
SCHEMBL3658781 0.81 BCL2L1 (0.63) BCL2L1BCL2
SCHEMBL3661122 0.79 BCL2L1 (0.52) BCL2L1BCL2BCL2L2CA2CA1
SCHEMBL3664204 0.77 BCL2L1 (0.56) BCL2L1BCL2
SCHEMBL4735312 0.76 BCL2L1 (0.67) BCL2L1BCL2BCL2L2MCL1
SCHEMBL2687025 0.75 BCL2L1 (0.69) BCL2L1BCL2BCL2L2MCL1
SCHEMBL29424556 0.75 BCL2L1 (0.69) BCL2L1BCL2BCL2L2MCL1
SCHEMBL15513466 0.75 BCL2L1 (0.69) 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