SCHEMBL5708349

SCHEMBL5708349

CC(=O)NC[C@H](O)CC(=O)NN

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CTSD P07339 1/20 0.35
NPC1 O15118 1/20 0.33
KDM4E B2RXH2 2/20 0.32
HIF1A Q16665 2/20 0.32
MAPK1 P28482 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C19 P33261 1/20 0.32
MTNR1A P48039 4/20 0.32
MTNR1B P49286 3/20 0.32
PAOX Q6QHF9 3/20 0.31
KDM5C P41229 1/20 0.31
PHF8 Q9UPP1 1/20 0.31
KDM2A Q9Y2K7 1/20 0.31
TSHR P16473 1/20 0.30

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
SCHEMBL5708350 1.00 CTSD (0.35) CTSDNPC1KDM4EHIF1AMAPK1
SCHEMBL13411703 0.78 KDM4E (0.43) NPC1KDM4EHIF1AMAPK1CYP2C19
SCHEMBL28596491 0.78 SLC22A6 (0.43) CTSDKDM4EHIF1ACYP1A2CYP3A4
SCHEMBL5708314 0.77 SLC22A6 (0.52) NPC1KDM4EHIF1AMAPK1MTNR1A
SCHEMBL5708313 0.77 SLC22A6 (0.52) NPC1KDM4EHIF1AMAPK1MTNR1A
SCHEMBL5708306 0.75 MEN1 (0.41) KDM4E
SCHEMBL5708307 0.75 MEN1 (0.41) KDM4E
SCHEMBL5708319 0.75 FAAH (0.49) CTSDMAPK1CYP1A2CYP3A4CYP2C19
SCHEMBL5708321 0.75 FAAH (0.49) CTSDMAPK1CYP1A2CYP3A4CYP2C19
SCHEMBL24254458 0.74

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-1008590-B1 Process for preparing optically active oxazolidinone derivatives TAKASAGO PERFUMERY CO LTD (JP) 2006-10-11 EP disclosed
US-6403804-B1 ALLOWING HYDRAZINE TO REACT ON OPTICALLY ACTIVE ACID ESTER HAVING HYDROXYL GROUP AT 3-POSITION TO GIVE OPTICALLY ACTIVE HYDRAZIDE HAVING HYDROXYL GROUP AT 3-POSITION, SUBJECTING OPTICALLY ACTIVE HYDRAZIDE TO CURTIUS REARRANGEMENT TAKASAGO INTERNATIONAL CORPORATION (JP) 2002-06-11 US disclosed
EP-1008590-A1 Process for preparing optically active oxazolidinone derivative Takasago International Corporation (JP) 2000-06-14 EP disclosed