SCHEMBL630105

SCHEMBL630105

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

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.51
ITGB1 P05556 3/20 0.49
ITGA5 P08648 2/20 0.49
FKBP1A P62942 7/20 0.46
ALDH1A1 P00352 2/20 0.45
MAPK1 P28482 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
MMP1 P03956 1/20 0.44
MMP3 P08254 1/20 0.44
MMP7 P09237 1/20 0.44
MMP13 P45452 1/20 0.44
TDP1 Q9NUW8 1/20 0.43
KCNQ1 P51787 2/20 0.43
KMT2A Q03164 2/20 0.43
MAPT P10636 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
MEN1 O00255 1/20 0.43
HTT P42858 1/20 0.43
PKM P14618 1/20 0.42
ITGA4 P13612 1/20 0.42

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
SCHEMBL1384225 1.00 LMNA (0.51) LMNAITGB1ITGA5FKBP1AALDH1A1
SCHEMBL630058 0.90 LMNA (0.42) LMNAITGB1ITGA5FKBP1AALDH1A1
SCHEMBL8269060 0.85 ITGB1 (0.53) LMNAITGB1ITGA5FKBP1AALDH1A1
SCHEMBL1383786 0.84 FKBP1A (0.53) LMNAITGB1ITGA5FKBP1AALDH1A1
SCHEMBL630215 0.84 FKBP1A (0.53) LMNAITGB1ITGA5FKBP1AALDH1A1
SCHEMBL629854 0.76 MMP1 (0.55) LMNAITGB1ITGA5FKBP1AMMP1
SCHEMBL1381163 0.76 MMP1 (0.55) LMNAITGB1ITGA5FKBP1AMMP1
SCHEMBL630070 0.75 FKBP1A (0.56) LMNAITGB1ITGA5FKBP1AALDH1A1
SCHEMBL1384306 0.75 FKBP1A (0.56) LMNAITGB1ITGA5FKBP1AALDH1A1
SCHEMBL631251 0.75 ALDH1A1 (0.49) FKBP1AALDH1A1MAPK1NPSR1TDP1

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 2 patents. 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
EP-1778637-B1 FKBP-binding composition and pharmaceutical use thereof AVENTIS PHARMA INC (US) 2012-02-22 EP disclosed