SCHEMBL8064907

SCHEMBL8064907

CCCC[C@H](C)C[C@@H](OC1CCCCO1)C(=O)O

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.36
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
ACE2 Q9BYF1 1/20 0.33
MMP2 P08253 1/20 0.32
MMP3 P08254 1/20 0.32
ALOX5 P09917 3/20 0.32
PPARG P37231 3/20 0.32
PTGES O14684 1/20 0.31
PTGS2 P35354 1/20 0.31
PSEN1 P49768 1/20 0.31
CTSL P07711 1/20 0.31
CTSB P07858 1/20 0.31
CTSK P43235 1/20 0.31
DPP7 Q9UHL4 1/20 0.30
TP53 P04637 1/20 0.30
CA2 P00918 1/20 0.30
MAPK1 P28482 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
SCHEMBL8078214 0.89 MAPT (0.33) MAPTMEN1KMT2ACTSLCTSB
SCHEMBL4100097 0.88 CA2 (0.38) MAPTMEN1KMT2AMMP2MMP3
SCHEMBL30989292 0.83 MEN1 (0.38) MAPTMEN1KMT2AACE2TP53
SCHEMBL10518210 0.83 MEN1 (0.38) MAPTMEN1KMT2AACE2TP53
SCHEMBL9044977 0.83 MEN1 (0.36) MAPTMEN1KMT2APPARG
SCHEMBL1610399 0.80 MEN1 (0.37) MEN1KMT2APPARG
SCHEMBL8075281 0.80 MAPT (0.30) MAPT
SCHEMBL29399995 0.79 CA1 (0.36) MEN1KMT2ADPP7TP53CA2
SCHEMBL3988416 0.78 CA1 (0.40) MEN1KMT2ACA2
SCHEMBL8075279 0.76 MAPT (0.34) MAPTACE2

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-6093345-A PYRIMIDINE COMPOUNDS, ELECTROOPTICS TAKASAGO INTERNATIONAL CORPORATION (JP) 2000-07-25 US disclosed