SCHEMBL8268337

SCHEMBL8268337

CC(C)c1ccc(C[C@H](NC(=O)C2CCCCN2S(=O)(=O)c2ccccc2)C(=O)NCC(C)(C)CO)cc1

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 5/20 0.51
ITGA5 P08648 2/20 0.51
CCR4 P51679 1/20 0.49
FKBP1A P62942 5/20 0.47
ALDH1A1 P00352 3/20 0.46
MAPK1 P28482 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
TDP1 Q9NUW8 1/20 0.44
ITGA4 P13612 3/20 0.43
ITGA2 P17301 1/20 0.43
PKM P14618 1/20 0.43
LMNA P02545 2/20 0.42
USP2 O75604 2/20 0.42
MAPT P10636 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HSD17B10 Q99714 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
ITGB7 P26010 1/20 0.42

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
SCHEMBL8268314 1.00 ITGB1 (0.51) ITGB1ITGA5CCR4FKBP1AALDH1A1
SCHEMBL631733 0.87 CCR4 (0.52) ITGB1ITGA5CCR4FKBP1AALDH1A1
SCHEMBL1381491 0.81 CCR4 (0.53) ITGB1ITGA5CCR4FKBP1AALDH1A1
SCHEMBL630983 0.81 CCR4 (0.53) ITGB1ITGA5CCR4FKBP1AALDH1A1
SCHEMBL13206958 0.78 FKBP1A (0.52) ITGB1ITGA5FKBP1AALDH1A1MAPK1
SCHEMBL8268306 0.78 FKBP1A (0.52) ITGB1ITGA5FKBP1AALDH1A1MAPK1
SCHEMBL8269050 0.76 ITGB1 (0.56) ITGB1ITGA5FKBP1AALDH1A1MAPK1
SCHEMBL629765 0.75 ITGB1 (0.65) ITGB1ITGA5FKBP1AALDH1A1MAPK1
SCHEMBL1379870 0.75 ITGB1 (0.65) ITGB1ITGA5FKBP1AALDH1A1MAPK1
SCHEMBL8268070 0.75 ITGB1 (0.65) ITGB1ITGA5FKBP1AALDH1A1MAPK1

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
WO-2006012256-A2 FKBP BINDING COMPOSITION AND PHARMACEUTICAL USE THEREOF AVENTIS PHARMACEUTICALS INC. (US) 2006-02-02 WO disclosed