SCHEMBL8893199

SCHEMBL8893199

Cc1c(C)c2c(c(C)c1OCc1ccccc1)CCC(C)(COc1ccc(C=O)c3ccccc13)O2

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
PPARG P37231 1/20 0.37
ALOX5 P09917 3/20 0.36
PSEN1 P49768 6/20 0.36
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
PTPN1 P18031 1/20 0.32

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
SCHEMBL8924748 0.89 MEN1 (0.38) MAPTMEN1KMT2ATDP1PPARG
SCHEMBL8893417 0.85 KMT2A (0.49) MEN1KMT2ATDP1PTPN1
SCHEMBL8893422 0.85 KMT2A (0.49) MEN1KMT2ATDP1PTPN1
SCHEMBL8895476 0.84 MEN1 (0.36) MAPTMEN1KMT2ATDP1PPARG
SCHEMBL7838082 0.82 MEN1 (0.49) MAPTMEN1KMT2ATDP1PPARG
SCHEMBL11601582 0.80 PSEN1 (0.42) MAPTMEN1KMT2ATDP1PPARG
SCHEMBL11601587 0.80 PSEN1 (0.42) MAPTMEN1KMT2ATDP1PPARG
SCHEMBL7969326 0.80 PSEN1 (0.42) MAPTMEN1KMT2ATDP1PPARG
SCHEMBL8485403 0.80 HTR1A (0.41) MAPTMEN1KMT2ATDP1ALOX5
SCHEMBL8893793 0.79 MEN1 (0.39) MAPTMEN1KMT2ATDP1PPARG

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-1997043284-A1 NEW THIAZOLIDINEDIONES, PROCESS FOR PREPARING THE SAME AND MEDICAMENTS CONTAINING THE SAME BOEHRINGER MANNHEIM GMBH (DE) 1997-11-20 WO disclosed