SCHEMBL6007748

SCHEMBL6007748

NC(C(=O)O)C(N)C(=O)OCc1ccc(Oc2ccccc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 3/20 0.49
LAP3 P28838 1/20 0.49
SLC1A3 P43003 3/20 0.49
SLC1A2 P43004 3/20 0.49
SLC1A1 P43005 3/20 0.49
MEN1 O00255 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
KMT2A Q03164 1/20 0.49
MMP2 P08253 1/20 0.48
FFAR1 O14842 3/20 0.48
FFAR4 Q5NUL3 1/20 0.48
PPARG P37231 7/20 0.47
PPARA Q07869 6/20 0.47
SRD5A2 P31213 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.45
PPARD Q03181 1/20 0.44

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
SCHEMBL6007743 1.00 LTA4H (0.49) LTA4HLAP3SLC1A3SLC1A2SLC1A1
SCHEMBL7653627 0.87 SLC1A1 (0.62) LTA4HLAP3SLC1A3SLC1A2SLC1A1
SCHEMBL383650 0.87 SLC1A1 (0.62) LTA4HLAP3SLC1A3SLC1A2SLC1A1
SCHEMBL8861386 0.87 SLC1A1 (0.62) LTA4HLAP3SLC1A3SLC1A2SLC1A1
Hydrochloric Acid SCHEMBL382327 0.85 SLC1A1 (0.60) LTA4HLAP3SLC1A3SLC1A2SLC1A1
SCHEMBL6009112 0.80 KMT2A (0.46) LTA4HLAP3SLC1A3SLC1A2SLC1A1
SCHEMBL8861390 0.80 CYP2C9 (0.47) SLC1A3SLC1A2SLC1A1MEN1CYP1A2
SCHEMBL9093870 0.80 SLC1A1 (0.45) SLC1A3SLC1A2SLC1A1MEN1CYP1A2
SCHEMBL6006754 0.80 NPC1 (0.45) SLC1A3SLC1A2SLC1A1MEN1CYP1A2
SCHEMBL8861375 0.80 KMT2A (0.46) LTA4HLAP3SLC1A3SLC1A2SLC1A1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0920345-A4 IONTOPHORETIC DELIVERY OF CELL ADHESION INHIBITORS VYTERIS INC (US) 2006-05-10 EP disclosed
EP-0920345-A1 IONTOPHORETIC DELIVERY OF CELL ADHESION INHIBITORS Becton Dickinson and Company (US) 1999-06-09 EP disclosed
WO-1997048443-A1 IONTOPHORETIC DELIVERY OF CELL ADHESION INHIBITORS BECTON DICKINSON AND COMPANY (US) 1997-12-24 WO disclosed