SCHEMBL4583329

SCHEMBL4583329

O=C(O)Cc1cccnc1OC(=O)O

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.57
CYP1A2 P05177 1/20 0.57
MAPT P10636 1/20 0.57
AKR1B1 P15121 1/20 0.44
SLC13A5 Q86YT5 4/20 0.42
EGLN1 Q9GZT9 1/20 0.40
NAPRT Q6XQN6 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
CXCL8 P10145 2/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPK8 P45983 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
FABP4 P15090 1/20 0.36
FABP5 Q01469 1/20 0.36
DPP4 P27487 1/20 0.36
CYP4A11 Q02928 1/20 0.36
CYP19A1 P11511 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
SCHEMBL28736458 0.84 SLC13A5 (0.45) KDM4ECYP1A2MAPTSLC13A5TDP1
SCHEMBL5780757 0.83 SLC13A5 (0.58) KDM4ECYP1A2MAPTAKR1B1SLC13A5
SCHEMBL4705125 0.83 KDM4E (0.57) KDM4ECYP1A2MAPTAKR1B1SLC13A5
SCHEMBL16058003 0.79 ABCB1 (0.47) KDM4ESLC13A5ALDH1A1MAPK8KMT2A
SCHEMBL7570799 0.79 ACP3 (0.39) KDM4ECYP1A2MAPTSLC13A5ALDH1A1
SCHEMBL16058683 0.78 PAX8 (0.42) SLC13A5MAPK8CYP19A1
SCHEMBL16057405 0.76 PTGER1 (0.46) SLC13A5ALDH1A1MEN1KMT2A
SCHEMBL16056930 0.76 BID (0.44) MAPTSLC13A5ALDH1A1MEN1KMT2A
SCHEMBL16057233 0.76 HTT (0.41) KDM4ESLC13A5TDP1ALDH1A1MEN1
SCHEMBL16058696 0.76 SLC13A5 (0.40) KDM4ECYP1A2MAPTSLC13A5TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1952797-A1 Use of a cosmetic composition comprising NMDA receptor agonists for cosmetic skin treatment Dr. August Wolff GmbH & Co. KG Arzneimittel (DE) 2008-08-06 EP claimed
EP-1800672-A1 Pharmaceutical composition and the use therof for the treatment of dermatoses Dr. August Wolff GmbH & Co. (DE) 2007-06-27 EP claimed
EP-1952797-A1 Use of a cosmetic composition comprising NMDA receptor agonists for cosmetic skin treatment Dr. August Wolff GmbH & Co. KG Arzneimittel (DE) 2008-08-06 EP disclosed
EP-1800672-A1 Pharmaceutical composition and the use therof for the treatment of dermatoses Dr. August Wolff GmbH & Co. (DE) 2007-06-27 EP disclosed