SCHEMBL630023

SCHEMBL630023

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

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.44
FKBP1A P62942 9/20 0.43
PKM P14618 1/20 0.42
TDP1 Q9NUW8 1/20 0.41
LMNA P02545 1/20 0.41
POLB P06746 1/20 0.41
ITGB1 P05556 1/20 0.39
ITGA5 P08648 1/20 0.39
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
SCHEMBL631075 0.88 FKBP1A (0.43) FKBP1APKMTDP1LMNAPOLB
SCHEMBL631233 0.86 FKBP1A (0.46) FKBP1APKMTDP1LMNAPOLB
SCHEMBL629939 0.86 CCR4 (0.43) FKBP1APKMTDP1LMNAITGB1
SCHEMBL1384306 0.85 FKBP1A (0.56) AKR1C3FKBP1APKMTDP1LMNA
SCHEMBL630070 0.85 FKBP1A (0.56) AKR1C3FKBP1APKMTDP1LMNA
SCHEMBL630007 0.83 FKBP1A (0.48) FKBP1ATDP1LMNA
SCHEMBL630470 0.83 MEN1 (0.48) FKBP1APKMTDP1LMNAPOLB
SCHEMBL631251 0.82 ALDH1A1 (0.49) FKBP1APKMTDP1ALDH1A1MAPK1
SCHEMBL631194 0.81 ITGB1 (0.47) FKBP1APKMTDP1LMNAITGB1
SCHEMBL630767 0.78 ITGB1 (0.46) FKBP1APKMTDP1LMNAPOLB

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