SCHEMBL8587408

SCHEMBL8587408

COC(=O)C1(NC(C)=O)CC=CC1

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.34
ALDH1A1 P00352 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
NPSR1 Q6W5P4 1/20 0.31
KDM4E B2RXH2 1/20 0.30
POLB P06746 1/20 0.30
MEN1 O00255 2/20 0.30
KMT2A Q03164 2/20 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
SCHEMBL14276911 0.80 MAPT (0.44) MAPTALDH1A1L3MBTL1NPSR1MEN1
SCHEMBL9613243 0.77 MAPT (0.50) MAPTALDH1A1L3MBTL1NPSR1MEN1
SCHEMBL12557597 0.73 ALDH1A1 (0.38) MAPTALDH1A1L3MBTL1NPSR1
SCHEMBL12905301 0.71 MAPT (0.45) MAPTALDH1A1L3MBTL1NPSR1
SCHEMBL8611180 0.71 ALDH1A1 (0.36) MAPTALDH1A1L3MBTL1NPSR1MEN1
SCHEMBL15166977 0.71 MAPT (0.38) MAPTALDH1A1L3MBTL1NPSR1
SCHEMBL21803044 0.70 MEN1 (0.38) MAPTALDH1A1NPSR1KDM4EPOLB
SCHEMBL7090808 0.70 NPSR1 (0.37) MAPTALDH1A1NPSR1MEN1KMT2A
SCHEMBL11642453 0.69 MAPT (0.31) MAPTMEN1KMT2ACYP3A4
SCHEMBL11643739 0.69 MAPT (0.31) MAPTMEN1KMT2ACYP3A4

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-1998030535-A1 AMINO ACID COMPOUNDS COCKBAIN JULIAN (GB) 1998-07-16 WO disclosed