SCHEMBL8620604

SCHEMBL8620604

Cc1c(C)c2c(c(C)c1O)CCC(C)(COc1ccc(NC(=S)Nc3ccc4ccccc4c3)cc1)O2

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.50
MAPT P10636 4/20 0.50
MEN1 O00255 2/20 0.50
TDP1 Q9NUW8 2/20 0.50
PPARG P37231 1/20 0.49
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 4/20 0.38
USP2 O75604 2/20 0.38
CYP2C9 P11712 2/20 0.38
GAA P10253 1/20 0.38
TP53 P04637 1/20 0.38
CYP3A4 P08684 1/20 0.38
ALOX15 P16050 1/20 0.38
TSHR P16473 1/20 0.38
NFKB1 P19838 1/20 0.38
THPO P40225 1/20 0.38
HIF1A Q16665 1/20 0.38
LCK P06239 1/20 0.38
FYN P06241 1/20 0.38

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
SCHEMBL8619652 0.88 MEN1 (0.49) KMT2AMAPTMEN1TDP1PPARG
SCHEMBL8615053 0.86 PPARG (0.52) KMT2AMAPTMEN1TDP1PPARG
SCHEMBL8620610 0.84 PPARG (0.49) KMT2AMAPTMEN1TDP1PPARG
SCHEMBL8619591 0.82 PPARG (0.50) KMT2AMAPTMEN1TDP1PPARG
SCHEMBL8619704 0.81 MAPT (0.57) KMT2AMAPTMEN1TDP1PPARG
SCHEMBL8003203 0.80 MAPT (0.64) KMT2AMAPTMEN1TDP1PPARG
SCHEMBL9265028 0.78 PTGS1 (0.51) KMT2AMAPTMEN1KDM4ECYP3A4
SCHEMBL7986932 0.77 MAPT (0.61) KMT2AMAPTMEN1TDP1PPARG
SCHEMBL9312815 0.75 PTGS1 (0.58) KMT2AMAPTMEN1KDM4ECYP3A4
SCHEMBL7492850 0.75 MAPT (0.59) KMT2AMAPTMEN1TDP1PPARG

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-5747528-A Chroman derivatives as anti-oxidants WARNER-LAMBERT COMPANY (US) 1998-05-05 US claimed