SCHEMBL6420017

SCHEMBL6420017

O=C(OCC12CC3CC(CC(C3)C1)C2)C(=O)On1cnc2c1CCN(C(=O)O)C2

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.32
ALOX12 P18054 1/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
DPP4 P27487 1/20 0.30
P2RX7 Q99572 1/20 0.30
PDK2 Q15119 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
SCHEMBL6420631 0.78 PTGDR2 (0.34) P2RX7PDK2
SCHEMBL6422857 0.78 PTGDR2 (0.35) P2RX7PDK2
SCHEMBL6420518 0.76 CHRM2 (0.36) ALDH1A1PDK2
SCHEMBL6419465 0.75 PDK2 (0.36) L3MBTL1P2RX7PDK2
SCHEMBL6420533 0.74 ALDH1A1 (0.33) ALDH1A1MEN1KMT2A
SCHEMBL6420249 0.73 PTGDR2 (0.36) ALDH1A1MEN1KMT2AP2RX7PDK2
SCHEMBL6420064 0.73 GRIN2B (0.38) ALDH1A1MEN1KMT2AP2RX7PDK2
SCHEMBL6422607 0.73 P2RX7 (0.43) ALDH1A1L3MBTL1P2RX7PDK2
SCHEMBL6421015 0.73 GRIN2B (0.38) MEN1KMT2AL3MBTL1PDK2
SCHEMBL6419627 0.73 HRH3 (0.35) MEN1KMT2AP2RX7PDK2

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