SCHEMBL6420064

SCHEMBL6420064

Cc1ccccc1COC(=O)C(=O)On1cnc2c1CCN(C(=O)O)C2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 1/20 0.38
PDK2 Q15119 1/20 0.37
ALDH1A1 P00352 2/20 0.35
KDM4E B2RXH2 1/20 0.35
MAPT P10636 1/20 0.35
MAOB P27338 1/20 0.35
ADORA2A P29274 1/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
NOTUM Q6P988 1/20 0.35
S1PR1 P21453 1/20 0.35
S1PR5 Q9H228 1/20 0.35
P2RX7 Q99572 3/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.35
GAA P10253 1/20 0.34
F13A1 P00488 1/20 0.33
TGM2 P21980 1/20 0.33
TGM1 P22735 1/20 0.33
FFAR1 O14842 2/20 0.33
FNTA P49354 1/20 0.33

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
SCHEMBL6423530 0.92 PTGDR2 (0.36) GRIN2BPDK2ALDH1A1MAPTMEN1
SCHEMBL6422824 0.90 CHRM5 (0.41) GRIN2BPDK2ALDH1A1MAPTMEN1
SCHEMBL6422626 0.89 PTGDR2 (0.37) GRIN2BPDK2ALDH1A1KDM4EMEN1
SCHEMBL6422607 0.88 P2RX7 (0.43) PDK2ALDH1A1MAPTP2RX7PTGDR2
SCHEMBL6422386 0.87 CD274 (0.42)
SCHEMBL6420047 0.87 PTGDR2 (0.37) PDK2MEN1KMT2AP2RX7PTGDR2
SCHEMBL6424323 0.86 P2RX7 (0.44) PDK2MAOBP2RX7F13A1TGM2
SCHEMBL6419627 0.83 HRH3 (0.35) PDK2MAPTMEN1KMT2AP2RX7
SCHEMBL6420086 0.83 KMT2A (0.35) PDK2ALDH1A1KDM4EMAPTMEN1
SCHEMBL6420512 0.83 GRIN2B (0.40) GRIN2BALDH1A1MAPTFNTAFNTB

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
US-6908926-B1 Substituted imidazoles, their preparation and use NOVO NORDISK A/S (DK) 2005-06-21 US disclosed
EP-1173438-A1 SUBSTITUTED IMIDAZOLES, THEIR PREPARATION AND USE NOVO NORDISK A/S (DK) 2002-01-23 EP disclosed
WO-2000063208-A1 SUBSTITUTED IMIDAZOLES, THEIR PREPARATION AND USE NOVO NORDISK A/S (DK) 2000-10-26 WO disclosed