SCHEMBL28802129

SCHEMBL28802129

C[C](C)Cc1coc(Cc2cccc(C(C)=O)c2)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.43
MAPT P10636 2/20 0.43
IL4I1 Q96RQ9 1/20 0.42
MAPK1 P28482 2/20 0.41
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
POLB P06746 1/20 0.40
MAOB P27338 2/20 0.37
HTT P42858 2/20 0.36
GLA P06280 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
HSD17B10 Q99714 1/20 0.36
ALDH1A1 P00352 1/20 0.36
GAA P10253 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
CTSS P25774 1/20 0.36
CTSK P43235 1/20 0.36
PARP1 P09874 1/20 0.36
SRC P12931 1/20 0.36

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
SCHEMBL1707161 0.81 LMNA (0.43) LMNAMAPTIL4I1MAPK1KMT2A
SCHEMBL1706806 0.80 IL4I1 (0.42) LMNAMAPTIL4I1MAPK1KMT2A
SCHEMBL27899558 0.79 IL4I1 (0.36) LMNAMAPTIL4I1MAPK1KMT2A
SCHEMBL1706233 0.78 LOXL2 (0.44) LMNAMAPTIL4I1MAPK1KMT2A
SCHEMBL27542428 0.75 SMN1; SMN2 (0.44) KMT2AMEN1POLBHTTL3MBTL1
SCHEMBL27899551 0.74 IL4I1 (0.38) LMNAMAPTIL4I1MAPK1KMT2A
SCHEMBL4962122 0.74 MAOB (0.51) LMNAIL4I1MAPK1KMT2AMEN1
SCHEMBL3335985 0.73 LMNA (0.59) LMNAIL4I1MAPK1KMT2AMEN1
SCHEMBL1706746 0.72 LMNA (0.40) LMNAMAPTIL4I1MAPK1KMT2A
SCHEMBL27899559 0.72 LMNA (0.38) LMNAMAPTIL4I1MAPK1KMT2A

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
CN-102803237-A Oxazole and thiazole derivatives as alx receptor agonists ACTELION PHARMACEUTICALS LTD 2012-11-28 CN disclosed