SCHEMBL631233

SCHEMBL631233

O=CN[C@H](Cc1ccccc1)NC(=O)O[C@H]1CCCCN1S(=O)(=O)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 10)

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

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
SCHEMBL630023 0.86 AKR1C3 (0.44) FKBP1APKMITGB1ITGA5ALDH1A1
SCHEMBL631075 0.85 FKBP1A (0.43) FKBP1APKMITGB1ITGA5TDP1
SCHEMBL630470 0.84 MEN1 (0.48) FKBP1APKMITGB1ITGA5ALDH1A1
SCHEMBL631194 0.83 ITGB1 (0.47) FKBP1APKMITGB1ITGA5ALDH1A1
SCHEMBL630293 0.81 FKBP1A (0.43) FKBP1AALDH1A1MAPK1NPSR1TDP1
SCHEMBL631251 0.81 ALDH1A1 (0.49) FKBP1APKMALDH1A1MAPK1NPSR1
SCHEMBL630767 0.80 ITGB1 (0.46) FKBP1APKMITGB1ITGA5ALDH1A1
SCHEMBL631469 0.79 ALDH1A1 (0.44) FKBP1APKMITGB1ITGA5ALDH1A1
SCHEMBL630007 0.79 FKBP1A (0.48) FKBP1ATDP1LMNA
SCHEMBL630058 0.79 LMNA (0.42) FKBP1APKMITGB1ITGA5ALDH1A1

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