SCHEMBL8924748

SCHEMBL8924748

Cc1c(C)c2c(c(C)c1OCc1ccccc1)CCC(C)(COc1ccc(C=O)c3sccc13)O2

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
MAPT P10636 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
PPARG P37231 1/20 0.36
PSEN1 P49768 6/20 0.33
ALOX5 P09917 2/20 0.32
PTPN1 P18031 1/20 0.31
PDE4A P27815 1/20 0.31
PDE3A Q14432 1/20 0.31

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
SCHEMBL8893199 0.89 MAPT (0.40) MEN1KMT2AMAPTTDP1PPARG
SCHEMBL7838082 0.79 MEN1 (0.49) MEN1KMT2AMAPTTDP1PPARG
SCHEMBL8893417 0.79 KMT2A (0.49) MEN1KMT2ATDP1PTPN1
SCHEMBL8893422 0.79 KMT2A (0.49) MEN1KMT2ATDP1PTPN1
SCHEMBL8895476 0.77 MEN1 (0.36) MEN1KMT2AMAPTTDP1PPARG
SCHEMBL11601582 0.76 PSEN1 (0.42) MEN1KMT2AMAPTTDP1PPARG
SCHEMBL11601587 0.76 PSEN1 (0.42) MEN1KMT2AMAPTTDP1PPARG
SCHEMBL7969326 0.76 PSEN1 (0.42) MEN1KMT2AMAPTTDP1PPARG
SCHEMBL8485403 0.75 HTR1A (0.41) MEN1KMT2AMAPTTDP1PSEN1
SCHEMBL10752967 0.74 ALOX5 (0.46) MEN1KMT2APPARGPSEN1ALOX5

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