SCHEMBL8619657

SCHEMBL8619657

COc1cccc(NC(=O)N(S)c2ccc(OCC3(C)CCc4c(C)c(O)c(C)c(C)c4O3)cc2)c1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.47
MAPT P10636 1/20 0.47
KMT2A Q03164 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
PPARG P37231 1/20 0.47
ALOX5 P09917 3/20 0.46
BCHE P06276 7/20 0.40
ACHE P22303 7/20 0.40
TP53 P04637 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HPGD P15428 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
SCHEMBL8620610 0.88 PPARG (0.49) MEN1MAPTKMT2ATDP1PPARG
SCHEMBL8619652 0.84 MEN1 (0.49) MEN1MAPTKMT2ATDP1PPARG
SCHEMBL8619704 0.75 MAPT (0.57) MEN1MAPTKMT2ATDP1PPARG
SCHEMBL8620604 0.72 KMT2A (0.50) MEN1MAPTKMT2ATDP1PPARG
SCHEMBL7492850 0.70 MAPT (0.59) MEN1MAPTKMT2ATDP1PPARG
SCHEMBL9467277 0.70 ALOX5 (0.60) MEN1MAPTKMT2ATDP1ALOX5
Hydrochloric Acid SCHEMBL9075731 0.69 ALOX5 (0.43) MEN1MAPTKMT2ATDP1PPARG
Hydrochloric Acid SCHEMBL9075357 0.69 ALOX5 (0.41) MEN1MAPTKMT2ATDP1PPARG
SCHEMBL5772509 0.68 MAPT (0.53) MEN1MAPTKMT2ATDP1PPARG
SCHEMBL10640259 0.68 PPARG (0.64) MEN1MAPTKMT2ATDP1PPARG

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