SCHEMBL2833558

SCHEMBL2833558

CC(C)(C)CC(C)(C)c1cc(-c2cc(C(C)(C)CC(C)(C)C)c(OCCC3CO3)c(C(C)(C)CC(C)(C)C)c2)cc(C(C)(C)CC(C)(C)C)c1OCCC1CO1

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TP53 P04637 3/20 0.34
TSHR P16473 3/20 0.34
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
MAPT P10636 2/20 0.34
HPGD P15428 2/20 0.34
ALDH1A1 P00352 2/20 0.34
HIF1A Q16665 2/20 0.34
CYP1A2 P05177 1/20 0.34
PPARG P37231 1/20 0.34
CYP3A4 P08684 3/20 0.32
CYP2D6 P10635 1/20 0.32
SMN1; SMN2 Q16637 2/20 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
SCHEMBL2831171 0.94 TP53 (0.34) TP53TSHRMEN1KMT2AMAPT
SCHEMBL2836571 0.93 ALDH1A1 (0.34) TP53TSHRMEN1KMT2AMAPT
SCHEMBL2831922 0.89 MEN1 (0.38) TP53TSHRMEN1KMT2AMAPT
SCHEMBL2832764 0.89 MEN1 (0.37) TP53TSHRMEN1KMT2AMAPT
SCHEMBL2833487 0.89 MEN1 (0.34) TP53TSHRMEN1KMT2AMAPT
SCHEMBL2829527 0.87 TP53 (0.35) TP53TSHRMEN1KMT2AMAPT
SCHEMBL2833371 0.87 ALDH1A1 (0.43) TP53TSHRMEN1KMT2AMAPT
SCHEMBL2828917 0.85 CYP3A4 (0.40) TP53TSHRMEN1KMT2AMAPT
SCHEMBL2829938 0.85 TSHR (0.40) TP53TSHRMEN1KMT2AMAPT
SCHEMBL2833560 0.84 ALDH1A1 (0.38) TP53TSHRMEN1KMT2AMAPT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100160555-A1 RESIN COMPOSITION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-06-24 US disclosed
EP-2133380-A1 RESIN COMPOSITION Sumitomo Chemical Company, Limited (JP) 2009-12-16 EP disclosed