SCHEMBL6420086

SCHEMBL6420086

COc1ccc(COC(=O)C(=O)On2cnc3c2CCN(C(=O)O)C3)c(C)c1C

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.35
ALDH1A1 P00352 2/20 0.35
MEN1 O00255 2/20 0.35
TSHR P16473 2/20 0.35
KDM4E B2RXH2 3/20 0.34
MAPT P10636 3/20 0.32
LMNA P02545 1/20 0.32
PDK2 Q15119 1/20 0.32
HPGD P15428 1/20 0.31
HTT P42858 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
PTGDR2 Q9Y5Y4 2/20 0.31
NPC1 O15118 1/20 0.31

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 0.85 PTGDR2 (0.36) KMT2AALDH1A1MEN1MAPTPDK2
SCHEMBL6422626 0.83 PTGDR2 (0.37) KMT2AALDH1A1MEN1TSHRKDM4E
SCHEMBL6420064 0.83 GRIN2B (0.38) KMT2AALDH1A1MEN1KDM4EMAPT
SCHEMBL6422386 0.82 CD274 (0.42)
SCHEMBL6422956 0.80 CHRM5 (0.42) KMT2AALDH1A1MEN1KDM4EHTT
SCHEMBL6422607 0.79 P2RX7 (0.43) ALDH1A1MAPTPDK2PTGDR2
SCHEMBL6419465 0.79 PDK2 (0.36) MAPTPDK2PTGDR2NPC1
SCHEMBL6419627 0.79 HRH3 (0.35) KMT2AMEN1MAPTPDK2HPGD
SCHEMBL6420101 0.78 KDM4E (0.38) KMT2AALDH1A1MEN1KDM4EMAPT
SCHEMBL6420047 0.78 PTGDR2 (0.37) KMT2AMEN1PDK2PTGDR2

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