SCHEMBL1383786

SCHEMBL1383786

Cc1ccc(C[C@@H](NC(=O)C2CCCCC2)NC(=O)C2CCCCN2S(=O)(=O)c2ccccc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FKBP1A P62942 7/20 0.53
ALDH1A1 P00352 2/20 0.53
ITGB1 P05556 2/20 0.52
ITGA5 P08648 2/20 0.52
PKM P14618 1/20 0.52
L3MBTL1 Q9Y468 2/20 0.51
MAPK1 P28482 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
TDP1 Q9NUW8 1/20 0.48
LMNA P02545 1/20 0.48
ITGA4 P13612 1/20 0.48
POLB P06746 1/20 0.48

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 1.00 FKBP1A (0.53) FKBP1AALDH1A1ITGB1ITGA5PKM
SCHEMBL1381571 0.90 FKBP1A (0.52) FKBP1AALDH1A1ITGB1ITGA5PKM
SCHEMBL631251 0.88 ALDH1A1 (0.49) FKBP1AALDH1A1PKML3MBTL1MAPK1
SCHEMBL629653 0.87 POLB (0.53) L3MBTL1POLB
SCHEMBL1383184 0.87 POLB (0.53) L3MBTL1POLB
SCHEMBL1384225 0.84 LMNA (0.51) FKBP1AALDH1A1ITGB1ITGA5PKM
SCHEMBL630105 0.84 LMNA (0.51) FKBP1AALDH1A1ITGB1ITGA5PKM
SCHEMBL630070 0.83 FKBP1A (0.56) FKBP1AALDH1A1ITGB1ITGA5PKM
SCHEMBL1384306 0.83 FKBP1A (0.56) FKBP1AALDH1A1ITGB1ITGA5PKM
SCHEMBL8269050 0.83 ITGB1 (0.56) FKBP1AALDH1A1ITGB1ITGA5PKM

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