SCHEMBL8871879

SCHEMBL8871879

CC(=O)COc1cccc2ccc(C)nc12

nearest known ligand 0.64

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 1/20 0.64
KDM4E B2RXH2 6/20 0.60
LMNA P02545 4/20 0.60
POLB P06746 2/20 0.60
NPSR1 Q6W5P4 1/20 0.58
MAPT P10636 5/20 0.57
ALDH1A1 P00352 2/20 0.57
HPGD P15428 2/20 0.57
MEN1 O00255 3/20 0.56
KMT2A Q03164 3/20 0.56
THRB P10828 1/20 0.54
NPC1 O15118 1/20 0.54
RAB9A P51151 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.53
PKM P14618 1/20 0.53
BDKRB2 P30411 1/20 0.52
HTT P42858 1/20 0.52

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
SCHEMBL8886414 0.84 PTGDR2 (0.60) PTGDR2KDM4ELMNAPOLBNPSR1
SCHEMBL13739997 0.84 PTGDR2 (0.60) PTGDR2KDM4ELMNAPOLBNPSR1
SCHEMBL8871466 0.83 PTGDR2 (0.66) PTGDR2KDM4ELMNAPOLBNPSR1
SCHEMBL8869916 0.82 NPC1 (0.52) PTGDR2KDM4ELMNAPOLBNPSR1
SCHEMBL8871046 0.81 MAPT (0.67) KDM4ELMNAPOLBNPSR1MAPT
SCHEMBL13739123 0.81 KDM4E (0.61) PTGDR2KDM4ELMNAPOLBNPSR1
SCHEMBL19901062 0.81 NPC1 (0.51) PTGDR2KDM4ELMNAPOLBNPSR1
SCHEMBL9951654 0.81 MEN1 (0.62) PTGDR2KDM4ELMNAPOLBNPSR1
SCHEMBL25869080 0.81 MEN1 (0.61) PTGDR2KDM4ELMNAPOLBNPSR1
SCHEMBL10029548 0.80 MEN1 (0.65) PTGDR2KDM4ELMNAPOLBNPSR1

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
US-5646164-A FOR THE TREATMENT OR PREVENTION OF CARDIOVASCULAR DISEASE NATIONAL SCIENCE COUNCIL (TW) 1997-07-08 US disclosed