SCHEMBL8205587

SCHEMBL8205587

COC(=O)c1ccc2c(C=C3OC(=O)NC3=O)c[nH]c2c1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.47
ASH1L Q9NR48 1/20 0.44
RAB9A P51151 3/20 0.43
PARP1 P09874 3/20 0.41
KIF11 P52732 1/20 0.41
GPR84 Q9NQS5 1/20 0.41
PDGFRB P09619 1/20 0.39
NR4A2 P43354 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
GFER P55789 1/20 0.38
CSNK2A1 P68400 1/20 0.38
EIF2AK2 P19525 1/20 0.38
PLG P00747 1/20 0.38
PLAU P00749 1/20 0.38
CREBBP Q92793 1/20 0.38
PDPK1 O15530 1/20 0.38

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
SCHEMBL8205583 1.00 NPC1 (0.47) NPC1ASH1LRAB9APARP1KIF11
SCHEMBL6015914 0.86 NPC1 (0.64) NPC1ASH1LRAB9APARP1KIF11
SCHEMBL6015917 0.86 NPC1 (0.64) NPC1ASH1LRAB9APARP1KIF11
SCHEMBL1248927 0.78 PIM1 (0.62) NPC1ASH1LGFER
SCHEMBL1248926 0.78 PIM1 (0.62) NPC1ASH1LGFER
SCHEMBL12891971 0.78 PIM1 (0.62) NPC1ASH1LGFER
SCHEMBL212820 0.77 PLG (0.61) NPC1ASH1LRAB9APARP1KIF11
SCHEMBL8197809 0.76 PIM1 (0.48) NPC1ASH1LPARP1KIF11MEN1
SCHEMBL8197811 0.76 PIM1 (0.48) NPC1ASH1LPARP1KIF11MEN1
SCHEMBL5576484 0.74 NTRK1 (0.53) NPC1RAB9APDGFRBMEN1KMT2A

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
WO-2000018745-A1 OXAZOLIDINE DERIVATIVES FOR THE TREATMENT AND PREVENTION OF METABOLIC BONE DISORDERS ROCHE DIAGNOSTICS GMBH (DE) 2000-04-06 WO disclosed