SCHEMBL630767

SCHEMBL630767

N[C@H](Cc1ccc(CO)cc1)NC(=O)O[C@H]1CCCCN1S(=O)(=O)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 2/20 0.46
ITGA5 P08648 2/20 0.46
NPSR1 Q6W5P4 2/20 0.44
ALDH1A1 P00352 1/20 0.44
MAPK1 P28482 1/20 0.44
FKBP1A P62942 10/20 0.43
PKM P14618 1/20 0.41
LMNA P02545 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
POLB P06746 1/20 0.40
MAPT P10636 1/20 0.39

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
SCHEMBL631469 0.90 ALDH1A1 (0.44) ITGB1ITGA5NPSR1ALDH1A1MAPK1
SCHEMBL630266 0.88 ITGB1 (0.49) ITGB1ITGA5NPSR1ALDH1A1MAPK1
SCHEMBL630786 0.84 TDP1 (0.46) NPSR1ALDH1A1MAPK1FKBP1APKM
SCHEMBL631343 0.83 PKM (0.43) NPSR1ALDH1A1MAPK1FKBP1APKM
SCHEMBL631194 0.83 ITGB1 (0.47) ITGB1ITGA5NPSR1ALDH1A1MAPK1
SCHEMBL631775 0.81 LMNA (0.47) ALDH1A1PKMLMNAMAPT
SCHEMBL631233 0.80 FKBP1A (0.46) ITGB1ITGA5NPSR1ALDH1A1MAPK1
SCHEMBL630023 0.78 AKR1C3 (0.44) ITGB1ITGA5NPSR1ALDH1A1MAPK1
SCHEMBL630470 0.78 MEN1 (0.48) ITGB1ITGA5NPSR1ALDH1A1MAPK1
SCHEMBL631075 0.77 FKBP1A (0.43) ITGB1ITGA5FKBP1APKMLMNA

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