SCHEMBL1381571

SCHEMBL1381571

Cc1ccc(C[C@H](NC(=O)[C@@H]2CCCCN2S(=O)(=O)c2ccccc2)NC2CCCCC2)cc1

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FKBP1A P62942 7/20 0.52
ITGB1 P05556 2/20 0.51
ITGA5 P08648 2/20 0.51
PKM P14618 1/20 0.51
ALDH1A1 P00352 1/20 0.50
MAPK1 P28482 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
L3MBTL1 Q9Y468 2/20 0.48
TDP1 Q9NUW8 1/20 0.48
LMNA P02545 1/20 0.48
ITGA4 P13612 1/20 0.48
POLB P06746 1/20 0.47

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
SCHEMBL630215 0.90 FKBP1A (0.53) FKBP1AITGB1ITGA5PKMALDH1A1
SCHEMBL1383786 0.90 FKBP1A (0.53) FKBP1AITGB1ITGA5PKMALDH1A1
SCHEMBL1384096 0.87 POLB (0.53) L3MBTL1POLB
SCHEMBL631527 0.87 POLB (0.53) L3MBTL1POLB
SCHEMBL8269050 0.85 ITGB1 (0.56) FKBP1AITGB1ITGA5PKMALDH1A1
SCHEMBL7069752 0.81 ALDH1A1 (0.69) FKBP1AITGB1ITGA5ALDH1A1L3MBTL1
SCHEMBL630070 0.80 FKBP1A (0.56) FKBP1AITGB1ITGA5PKMALDH1A1
SCHEMBL1384306 0.80 FKBP1A (0.56) FKBP1AITGB1ITGA5PKMALDH1A1
SCHEMBL631251 0.78 ALDH1A1 (0.49) FKBP1APKMALDH1A1MAPK1NPSR1
SCHEMBL629653 0.78 POLB (0.53) L3MBTL1POLB

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
JP-4812758-B2 2011-11-09 JP claimed