SCHEMBL11540530

SCHEMBL11540530

CC(C)(C)c1cc(CC(CNC(=O)NCC(Cc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)Cc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)Cc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc(C(C)(C)C)c1O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 6/20 0.47
KMT2A Q03164 4/20 0.47
HMGCR P04035 2/20 0.47
ALDH1A1 P00352 6/20 0.44
TSHR P16473 3/20 0.44
MAPK1 P28482 3/20 0.44
MEN1 O00255 3/20 0.44
CYP1A2 P05177 2/20 0.44
CYP3A4 P08684 2/20 0.44
BLM P54132 2/20 0.44
ATM Q13315 2/20 0.44
HIF1A Q16665 2/20 0.44
NPSR1 Q6W5P4 2/20 0.44
MAPT P10636 2/20 0.44
USP2 O75604 1/20 0.44
CYP2D6 P10635 1/20 0.44
LMNA P02545 3/20 0.44
GSR P00390 2/20 0.43
TDP1 Q9NUW8 1/20 0.42
GMNN O75496 1/20 0.42

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
SCHEMBL11539742 0.84 GAA (0.65) GAAKMT2AHMGCRALDH1A1TSHR
SCHEMBL14035134 0.78 GSR (0.57) GAAKMT2AALDH1A1TSHRMAPK1
SCHEMBL28834405 0.78 HMGCR (0.49) GAAKMT2AHMGCRALDH1A1TSHR
SCHEMBL9711097 0.77 HMGCR (0.49) GAAKMT2AHMGCRALDH1A1TSHR
SCHEMBL8125562 0.76 ALDH1A1 (0.55) GAAKMT2AHMGCRALDH1A1TSHR
SCHEMBL11268336 0.76 ALDH1A1 (0.55) GAAKMT2AHMGCRALDH1A1TSHR
SCHEMBL9518040 0.76 GAA (0.61) GAAKMT2AALDH1A1TSHRMAPK1
SCHEMBL2671331 0.75 HMGCR (0.53) GAAKMT2AHMGCRALDH1A1TSHR
SCHEMBL11255605 0.75 ALDH1A1 (0.50) GAAKMT2AHMGCRALDH1A1TSHR
SCHEMBL29185563 0.74 HMGCR (0.52) GAAKMT2AHMGCRALDH1A1TSHR

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-4132702-A Phenol esters and amides and polymers stabilized therewith CIBA-GEIGY CORPORATION (US) 1979-01-02 US disclosed