SCHEMBL765446

SCHEMBL765446

CNC1CCC(NC(=O)O)C1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.34
GRIN1 Q05586 1/20 0.34
GRIN2B Q13224 1/20 0.34
EPHX2 P34913 2/20 0.33
BTK Q06187 1/20 0.33
EPHX1 P07099 6/20 0.32
ATM Q13315 1/20 0.32
PKM P14618 1/20 0.32
MMP2 P08253 1/20 0.32
MMP8 P22894 1/20 0.32
KDM1A O60341 1/20 0.31
MAOB P27338 1/20 0.31
KDM4E B2RXH2 2/20 0.31
ALDH1A1 P00352 2/20 0.31
NPC1 O15118 2/20 0.30
RAB9A P51151 2/20 0.30
SMN1; SMN2 Q16637 2/20 0.30
MAPT P10636 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
CYP3A4 P08684 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
SCHEMBL22042675 1.00 POLB (0.34) POLBGRIN1GRIN2BEPHX2BTK
SCHEMBL10274166 0.91 BTK (0.41) GRIN1GRIN2BEPHX2BTKEPHX1
SCHEMBL5007222 0.88 POLB (0.41) POLBGRIN1GRIN2BEPHX2BTK
SCHEMBL15970550 0.88 POLB (0.41) POLBGRIN1GRIN2BEPHX2BTK
SCHEMBL15970268 0.86 ATM (0.34) ATMKDM4EALDH1A1
SCHEMBL15970415 0.86 ATM (0.34) ATMKDM4EALDH1A1
SCHEMBL15970269 0.86 ATM (0.34) ATMKDM4EALDH1A1
SCHEMBL15388389 0.86 POLB (0.41) POLBEPHX2EPHX1PKMMMP2
SCHEMBL3273218 0.86 POLB (0.41) POLBEPHX2EPHX1PKMMMP2
SCHEMBL3273214 0.86 POLB (0.41) POLBEPHX2EPHX1PKMMMP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1439174-B1 4-IMIDAZOLIN-2-ONE COMPOUNDS AS p38 MAP KINASE INHIBITORS MITSUBISHI TANABE PHARMA CORP (JP) 2012-03-21 EP disclosed