SCHEMBL3663695

SCHEMBL3663695

CCN(CC)CC[C@H](CSc1ccccc1)NNS(=O)(=O)c1cccc(S(=O)(=O)C(F)(F)F)c1

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
BCL2L1 Q07817 12/20 0.38
BCL2 P10415 9/20 0.38
NR3C1 P04150 1/20 0.37
PGR P06401 1/20 0.37
NR3C2 P08235 1/20 0.37
MCL1 Q07820 1/20 0.36
BCL2L2 Q92843 1/20 0.36
RXFP1 Q9HBX9 1/20 0.34
CASR P41180 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
SCHEMBL3661884 0.90 BCL2L1 (0.45) BCL2L1BCL2NR3C1PGRNR3C2
SCHEMBL3662132 0.90 BCL2L1 (0.38) BCL2L1BCL2NR3C1PGRNR3C2
SCHEMBL3665622 0.85 GAA (0.38) BCL2L1BCL2NR3C1PGRNR3C2
SCHEMBL3658782 0.80 BCL2L1 (0.51) BCL2L1BCL2BCL2L2CASR
SCHEMBL3661123 0.79 BCL2L1 (0.45) BCL2L1BCL2NR3C1PGRBCL2L2
SCHEMBL3664203 0.76 BCL2L1 (0.46) BCL2L1BCL2CASR
SCHEMBL3663692 0.74 BCL2L1 (0.47) BCL2L1BCL2NR3C1PGRNR3C2
SCHEMBL19145266 0.74 BCL2L1 (0.66) BCL2L1BCL2MCL1BCL2L2
SCHEMBL2474108 0.72 BCL2L1 (0.55) BCL2L1BCL2BCL2L2
SCHEMBL6470751 0.72 ALDH1A1 (0.40) BCL2L1NR3C1PGRNR3C2

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