SCHEMBL631733

SCHEMBL631733

CC(C)c1ccc(C[C@@H](NCC(C)(C)CO)NC(=O)[C@@H]2CCCCN2S(=O)(=O)c2ccccc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CCR4 P51679 1/20 0.52
ITGB1 P05556 2/20 0.47
ITGA5 P08648 2/20 0.47
FKBP1A P62942 6/20 0.47
ALDH1A1 P00352 3/20 0.45
MAPK1 P28482 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
PKM P14618 1/20 0.44
LMNA P02545 2/20 0.43
TDP1 Q9NUW8 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
USP2 O75604 2/20 0.43
POLB P06746 1/20 0.43
KCNQ1 P51787 1/20 0.42
MAPT P10636 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HSD17B10 Q99714 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
SCHEMBL1381491 0.88 CCR4 (0.53) CCR4ITGB1ITGA5FKBP1AALDH1A1
SCHEMBL630983 0.88 CCR4 (0.53) CCR4ITGB1ITGA5FKBP1AALDH1A1
SCHEMBL8268314 0.87 ITGB1 (0.51) CCR4ITGB1ITGA5FKBP1AALDH1A1
SCHEMBL8268337 0.87 ITGB1 (0.51) CCR4ITGB1ITGA5FKBP1AALDH1A1
SCHEMBL630070 0.79 FKBP1A (0.56) CCR4ITGB1ITGA5FKBP1AALDH1A1
SCHEMBL1384306 0.79 FKBP1A (0.56) CCR4ITGB1ITGA5FKBP1AALDH1A1
SCHEMBL1383786 0.76 FKBP1A (0.53) ITGB1ITGA5FKBP1AALDH1A1MAPK1
SCHEMBL630215 0.76 FKBP1A (0.53) ITGB1ITGA5FKBP1AALDH1A1MAPK1
SCHEMBL629939 0.75 CCR4 (0.43) CCR4ITGB1ITGA5FKBP1AALDH1A1
SCHEMBL1381571 0.75 FKBP1A (0.52) 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
EP-1778637-B1 FKBP-binding composition and pharmaceutical use thereof AVENTIS PHARMA INC (US) 2012-02-22 EP claimed