SCHEMBL5250840

SCHEMBL5250840

O=C(CNCCOc1ccc(C[C@H](Nc2nc3ccccc3s2)C(=O)O)cc1)C1CCCCC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 4/20 0.55
ITGA5 P08648 2/20 0.55
ITGA4 P13612 3/20 0.47
PPARG P37231 6/20 0.46
MEN1 O00255 5/20 0.42
KMT2A Q03164 5/20 0.42
NPC1 O15118 4/20 0.42
RAB9A P51151 4/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
KDM4E B2RXH2 2/20 0.42
GAA P10253 2/20 0.41
ALDH1A1 P00352 3/20 0.41
LMNA P02545 2/20 0.41
MAPT P10636 2/20 0.41
TP53 P04637 1/20 0.41
HTT P42858 1/20 0.41
GMNN O75496 1/20 0.40
PMP22 Q01453 1/20 0.40
PKM P14618 1/20 0.39
EPHX2 P34913 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
SCHEMBL3260605 0.83 PPARG (0.54) ITGB1ITGA5ITGA4PPARG
SCHEMBL1596544 0.83 PPARG (0.54) ITGB1ITGA5ITGA4PPARG
SCHEMBL5251368 0.82 PPARG (0.57) PPARG
SCHEMBL6221979 0.75 ITGB1 (0.53) ITGB1ITGA5ITGA4PPARGNPC1
SCHEMBL5251780 0.74 PPARG (0.49) PPARG
Hydrochloric Acid SCHEMBL9009337 0.74 CSNK1D (0.56) ITGB1ITGA5MEN1KMT2ANPC1
SCHEMBL3144746 0.73 CSNK1D (0.50) ITGB1ITGA5ITGA4MEN1KMT2A
SCHEMBL6223363 0.72 ITGB1 (0.47) ITGB1ITGA5ITGA4PPARGNPC1
SCHEMBL4836084 0.72 ITGB1 (0.61) ITGB1ITGA5ITGA4
SCHEMBL6226288 0.71 ITGAV (0.58) ITGB1ITGA5

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-1833805-A1 NEW 3-PHENYLPROPIONIC ACID DERIVATIVES FOR THE TREATMENT OF DIABETES Adamed SP. Z O.O. (PL) 2007-09-19 EP disclosed
WO-2006067086-A1 NEW 3-PHENYLPROPIONIC ACID DERIVATIVES FOR THE TREATMENT OF DIABETES ADAMED SP. Z O.O. (PL) 2006-06-29 WO disclosed