SCHEMBL2833366

SCHEMBL2833366

CCC(C)(C)c1cc(CCc2cc(C(C)(C)CC)c(OCC3CO3)c(C(C)(C)CC)c2)cc(C(C)(C)CC)c1OCC1CO1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.41
TSHR P16473 4/20 0.41
TP53 P04637 3/20 0.41
MAPT P10636 2/20 0.41
HPGD P15428 2/20 0.41
HIF1A Q16665 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
CYP1A2 P05177 1/20 0.41
PPARG P37231 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.38
CYP3A4 P08684 1/20 0.38
GLA P06280 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
MAPK1 P28482 1/20 0.34
VDR P11473 1/20 0.33
PKM P14618 2/20 0.32
LMNA P02545 1/20 0.32
GAA P10253 1/20 0.32

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
SCHEMBL2833458 0.91 ALDH1A1 (0.41) ALDH1A1TSHRTP53MAPTHPGD
SCHEMBL2834169 0.89 ALDH1A1 (0.44) ALDH1A1TSHRTP53MAPTHPGD
SCHEMBL2833484 0.88 SMN1; SMN2 (0.39) ALDH1A1TSHRTP53MAPTHPGD
SCHEMBL2832898 0.87 ALDH1A1 (0.40) ALDH1A1TSHRTP53MAPTHPGD
SCHEMBL2832766 0.86 ALDH1A1 (0.44) ALDH1A1TSHRTP53MAPTHPGD
SCHEMBL2836408 0.86 MEN1 (0.35) ALDH1A1TSHRTP53MAPTHPGD
SCHEMBL2829236 0.85 ALDH1A1 (0.51) ALDH1A1TSHRTP53MAPTHPGD
SCHEMBL2832899 0.85 ALDH1A1 (0.37) ALDH1A1TSHRTP53MAPTHPGD
SCHEMBL2832552 0.85 MEN1 (0.34) ALDH1A1TSHRTP53MAPTHPGD
SCHEMBL2828909 0.83 ALDH1A1 (0.36) ALDH1A1MAPTMEN1KMT2AMAPK1

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