SCHEMBL6009385

SCHEMBL6009385

CCOC(=O)C(N)C(N)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.44
SLC7A5 Q01650 1/20 0.44
SLC1A3 P43003 2/20 0.43
SLC1A2 P43004 2/20 0.43
SLC1A1 P43005 2/20 0.43
ALDH1A1 P00352 3/20 0.42
LMNA P02545 1/20 0.40
HSD17B10 Q99714 1/20 0.40
CPB2 Q96IY4 1/20 0.39
MGAM O43451 1/20 0.39
GAA P10253 1/20 0.39
SI P14410 1/20 0.39
MGAM2 Q2M2H8 1/20 0.39
SOAT1 P35610 1/20 0.39
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
PIN1 Q13526 1/20 0.37
HCAR2 Q8TDS4 1/20 0.37
MEN1 O00255 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
Hydrochloric Acid SCHEMBL8848952 0.87 ALOX15 (0.50) ALOX15ALDH1A1LMNAHSD17B10CPB2
SCHEMBL7945977 0.82 ALOX15 (0.41) ALOX15ALDH1A1LMNAHSD17B10MGAM
SCHEMBL7371519 0.82 SLC7A5 (0.41) SLC7A5SLC1A3SLC1A2SLC1A1ALDH1A1
SCHEMBL8861392 0.82 SLC7A5 (0.41) SLC7A5SLC1A3SLC1A2SLC1A1ALDH1A1
Bromide SCHEMBL9286907 0.80 SLC7A5 (0.44) ALOX15SLC7A5SLC1A3SLC1A2SLC1A1
SCHEMBL7373587 0.79 ALDH1A1 (0.48) SLC7A5SLC1A3SLC1A2SLC1A1ALDH1A1
SCHEMBL8088689 0.79 ALDH1A1 (0.48) SLC7A5SLC1A3SLC1A2SLC1A1ALDH1A1
Bromide SCHEMBL9213394 0.79 ALOX15 (0.38) ALOX15SLC7A5SLC1A3SLC1A2SLC1A1
SCHEMBL8093944 0.79 ALDH1A1 (0.48) SLC7A5SLC1A3SLC1A2SLC1A1ALDH1A1
SCHEMBL135322 0.78 ALOX15 (0.46) ALOX15SLC7A5ALDH1A1LMNAHSD17B10

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