SCHEMBL630293

SCHEMBL630293

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

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
FKBP1A P62942 12/20 0.43
TDP1 Q9NUW8 1/20 0.41
LMNA P02545 1/20 0.41
ALDH1A1 P00352 1/20 0.39
MAPK1 P28482 1/20 0.39
NPSR1 Q6W5P4 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
SCHEMBL630542 0.85 FKBP1A (0.50) FKBP1ATDP1LMNAALDH1A1MAPK1
SCHEMBL1380598 0.85 FKBP1A (0.50) FKBP1ATDP1LMNAALDH1A1MAPK1
SCHEMBL631233 0.81 FKBP1A (0.46) FKBP1ATDP1LMNAALDH1A1MAPK1
SCHEMBL630023 0.74 AKR1C3 (0.44) FKBP1ATDP1LMNAALDH1A1MAPK1
SCHEMBL631075 0.73 FKBP1A (0.43) FKBP1ATDP1LMNA
SCHEMBL631194 0.73 ITGB1 (0.47) FKBP1ATDP1LMNAALDH1A1MAPK1
SCHEMBL630470 0.70 MEN1 (0.48) FKBP1ATDP1LMNAALDH1A1MAPK1
SCHEMBL8267514 0.70 FKBP1A (0.52) FKBP1ATDP1LMNAALDH1A1MAPK1
SCHEMBL630767 0.70 ITGB1 (0.46) FKBP1ATDP1LMNAALDH1A1MAPK1
SCHEMBL631251 0.70 ALDH1A1 (0.49) FKBP1ATDP1ALDH1A1MAPK1NPSR1

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