SCHEMBL6009380

SCHEMBL6009380

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.39
ALDH1A1 P00352 3/20 0.37
PIN1 Q13526 1/20 0.37
CYP1A2 P05177 1/20 0.36
PKM P14618 3/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
LMNA P02545 1/20 0.36
HSD17B10 Q99714 1/20 0.36
CYP4F2 P78329 2/20 0.35
CYP4A11 Q02928 2/20 0.35
THRB P10828 1/20 0.35
GAA P10253 2/20 0.34
MGAM O43451 1/20 0.34
SI P14410 1/20 0.34
MGAM2 Q2M2H8 1/20 0.34
SOAT1 P35610 1/20 0.34
MAPT P10636 1/20 0.34
HPGD P15428 1/20 0.34

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
SCHEMBL4324362 0.85 ALOX15 (0.41) ALOX15ALDH1A1PIN1CYP1A2PKM
SCHEMBL7371516 0.84 HCAR2 (0.37) ALDH1A1LMNAMAPTSMN1; SMN2HCAR2
SCHEMBL28914960 0.82 ALOX15 (0.38) ALOX15ALDH1A1PIN1CYP1A2PKM
SCHEMBL28914932 0.82 ALOX15 (0.38) ALOX15ALDH1A1PIN1CYP1A2PKM
SCHEMBL5204094 0.81 ALDH1A1 (0.44) ALDH1A1CYP1A2LMNAHSD17B10MAPT
SCHEMBL27860323 0.80 ALOX15 (0.41) ALOX15ALDH1A1PIN1PKMKDM4E
SCHEMBL27860325 0.80 ALOX15 (0.41) ALOX15ALDH1A1PIN1PKMKDM4E
Hydrochloric Acid SCHEMBL7377198 0.80 ALDH1A1 (0.42) ALDH1A1CYP1A2KDM4ELMNAHSD17B10
SCHEMBL5852966 0.80 NAAA (0.43) ALDH1A1KDM4ELMNAHSD17B10MAPT
SCHEMBL8456670 0.79 CYP4F2 (0.36) ALOX15ALDH1A1CYP1A2PKMKDM4E

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