SCHEMBL2834208

SCHEMBL2834208

CC(C)(C)CC(C)(C)c1cc(C(C)(C)c2cc(C(C)(C)CC(C)(C)C)c(OCCOCC3CO3)c(C(C)(C)CC(C)(C)C)c2)cc(C(C)(C)CC(C)(C)C)c1OCCOCC1CO1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 6/20 0.42
ALDH1A1 P00352 4/20 0.42
TP53 P04637 3/20 0.42
MAPT P10636 2/20 0.42
HPGD P15428 2/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
HIF1A Q16665 2/20 0.42
CYP1A2 P05177 2/20 0.42
PPARG P37231 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.38
TDP1 Q9NUW8 2/20 0.36
MAPK1 P28482 1/20 0.36
CYP3A4 P08684 1/20 0.31
LMNA P02545 1/20 0.30
CYP2D6 P10635 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
SCHEMBL2829938 0.90 TSHR (0.40) TSHRALDH1A1TP53MAPTHPGD
SCHEMBL2833567 0.89 TSHR (0.43) TSHRALDH1A1TP53MAPTHPGD
SCHEMBL2829921 0.88 ALDH1A1 (0.50) TSHRALDH1A1TP53MAPTHPGD
SCHEMBL2830492 0.88 TSHR (0.38) TSHRALDH1A1TP53MAPTHPGD
SCHEMBL2831552 0.88 TSHR (0.38) TSHRALDH1A1TP53MAPTHPGD
SCHEMBL2831264 0.87 ALDH1A1 (0.46) TSHRALDH1A1TP53MAPTHPGD
SCHEMBL2831922 0.86 MEN1 (0.38) TSHRALDH1A1TP53MAPTHPGD
SCHEMBL2833400 0.86 TP53 (0.38) TSHRALDH1A1TP53MAPTHPGD
SCHEMBL2832715 0.85 TP53 (0.38) TSHRALDH1A1TP53MAPTHPGD
SCHEMBL2836746 0.83 ALDH1A1 (0.49) TSHRALDH1A1TP53MAPTHPGD

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