SCHEMBL630058

SCHEMBL630058

C=CCOc1ccc(C[C@H](NC(=O)O[C@H]2CCCCN2S(=O)(=O)c2ccccc2)NC(=O)C2CCCCC2)cc1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.42
ITGB1 P05556 2/20 0.39
ITGA5 P08648 2/20 0.39
FKBP1A P62942 4/20 0.38
MMP1 P03956 1/20 0.38
MMP13 P45452 1/20 0.38
ADAM17 P78536 1/20 0.38
ALDH1A1 P00352 2/20 0.37
MAPK1 P28482 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
PKM P14618 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
KCNQ1 P51787 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MAPT P10636 1/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL630105 0.90 LMNA (0.51) LMNAITGB1ITGA5FKBP1AMMP1
SCHEMBL1384225 0.90 LMNA (0.51) LMNAITGB1ITGA5FKBP1AMMP1
SCHEMBL631251 0.86 ALDH1A1 (0.49) FKBP1AALDH1A1MAPK1NPSR1PKM
SCHEMBL631233 0.79 FKBP1A (0.46) LMNAITGB1ITGA5FKBP1AALDH1A1
SCHEMBL630023 0.76 AKR1C3 (0.44) LMNAITGB1ITGA5FKBP1AALDH1A1
SCHEMBL630007 0.76 FKBP1A (0.48) LMNAFKBP1AMMP1MMP13MEN1
SCHEMBL8269060 0.75 ITGB1 (0.53) LMNAITGB1ITGA5FKBP1AMMP1
SCHEMBL629860 0.75 BDKRB1 (0.41) NPSR1KCNQ1MAPT
SCHEMBL1383786 0.74 FKBP1A (0.53) LMNAITGB1ITGA5FKBP1AALDH1A1
SCHEMBL630215 0.74 FKBP1A (0.53) LMNAITGB1ITGA5FKBP1AALDH1A1

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