SCHEMBL8664225

SCHEMBL8664225

NCCCC[C@@H](C(=O)O)N(OCc1ccccc1)C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EPOR P19235 3/20 0.51
LTA4H P09960 1/20 0.44
CPB2 Q96IY4 2/20 0.41
FOLH1 Q04609 1/20 0.40
MMP2 P08253 1/20 0.40
ITGB3 P05106 4/20 0.38
ITGA2B P08514 4/20 0.38
SLC1A3 P43003 2/20 0.38
SLC1A2 P43004 2/20 0.38
SLC1A1 P43005 2/20 0.38
MEN1 O00255 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
KMT2A Q03164 1/20 0.38
ECE1 P42892 1/20 0.38

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
SCHEMBL1895126 0.88 EPOR (0.43) EPORLTA4HCPB2FOLH1MMP2
SCHEMBL1087097 0.82 SLC1A1 (0.39) LTA4HFOLH1MMP2SLC1A3SLC1A2
SCHEMBL1086440 0.82 SLC1A1 (0.39) LTA4HFOLH1MMP2SLC1A3SLC1A2
SCHEMBL8645814 0.81 DPP7 (0.41) EPORCPB2MMP2ITGB3ITGA2B
SCHEMBL8645811 0.81 DPP7 (0.41) EPORCPB2MMP2ITGB3ITGA2B
Glycine SCHEMBL28734973 0.81 FOLH1 (0.38) EPORFOLH1SLC1A3SLC1A2SLC1A1
SCHEMBL3222447 0.79 EPOR (0.52) EPORLTA4HCPB2FOLH1ITGB3
SCHEMBL7226974 0.79 EPOR (0.60) EPORLTA4HCPB2FOLH1MMP2
SCHEMBL2723866 0.79 EPOR (0.59) EPORCPB2MMP2
SCHEMBL2723861 0.79 EPOR (0.59) EPORCPB2MMP2

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
US-5852109-A Poly-α-amino acid particles, emulsions containing the same and process for preparing the same JSR CORPORATION (JP) 1998-12-22 US disclosed