SCHEMBL2833400

SCHEMBL2833400

CC(C)(C)CC(C)(C)c1cc(C(C)(C)c2cc(C(C)(C)CC(C)(C)C)c(OCCCC3CO3)c(C(C)(C)CC(C)(C)C)c2)cc(C(C)(C)CC(C)(C)C)c1OCCCC1CO1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.38
MAPT P10636 2/20 0.38
HPGD P15428 2/20 0.38
TSHR P16473 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
ALDH1A1 P00352 2/20 0.38
CYP1A2 P05177 1/20 0.38
PPARG P37231 1/20 0.38
HIF1A Q16665 1/20 0.38
CYP3A4 P08684 2/20 0.30
CYP2D6 P10635 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL2832715 0.96 TP53 (0.38) TP53MAPTHPGDTSHRMEN1
SCHEMBL2831922 0.95 MEN1 (0.38) TP53MAPTHPGDTSHRMEN1
SCHEMBL2836562 0.89 MAPT (0.38) TP53MAPTHPGDTSHRMEN1
SCHEMBL2831171 0.89 TP53 (0.34) TP53MAPTHPGDTSHRMEN1
SCHEMBL2832800 0.87 MEN1 (0.41) TP53MAPTHPGDTSHRMEN1
SCHEMBL2829825 0.86 MEN1 (0.34) TP53MAPTHPGDTSHRMEN1
SCHEMBL2829811 0.86 MEN1 (0.31) TP53MAPTHPGDTSHRMEN1
SCHEMBL2829921 0.86 ALDH1A1 (0.50) TP53MAPTHPGDTSHRMEN1
SCHEMBL2834208 0.86 TSHR (0.42) TP53MAPTHPGDTSHRMEN1
SCHEMBL2833407 0.85 MAPT (0.38) TP53MAPTHPGDTSHRMEN1

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