SCHEMBL2829236

SCHEMBL2829236

CCC(C)(C)c1cc(C(C)(C)c2cc(C(C)(C)CC)c(OCC3CO3)c(C(C)(C)CC)c2)cc(C(C)(C)CC)c1OCC1CO1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.51
TSHR P16473 4/20 0.51
TP53 P04637 3/20 0.51
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
MAPT P10636 2/20 0.51
HPGD P15428 2/20 0.51
HIF1A Q16665 2/20 0.51
PPARG P37231 2/20 0.51
CYP1A2 P05177 1/20 0.51
SMN1; SMN2 Q16637 3/20 0.38
CYP3A4 P08684 1/20 0.38
GLA P06280 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
MAPK1 P28482 2/20 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
NPSR1 Q6W5P4 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
SCHEMBL2834169 0.89 ALDH1A1 (0.44) ALDH1A1TSHRTP53MEN1KMT2A
SCHEMBL2833567 0.88 TSHR (0.43) ALDH1A1TSHRTP53MEN1KMT2A
SCHEMBL2829921 0.87 ALDH1A1 (0.50) ALDH1A1TSHRTP53MEN1KMT2A
SCHEMBL2836185 0.86 ALDH1A1 (0.55) ALDH1A1TSHRTP53MEN1KMT2A
SCHEMBL2834967 0.86 MAPT (0.39) ALDH1A1TSHRTP53MEN1KMT2A
SCHEMBL2833458 0.85 ALDH1A1 (0.41) ALDH1A1TSHRTP53MEN1KMT2A
SCHEMBL2833366 0.85 ALDH1A1 (0.41) ALDH1A1TSHRTP53MEN1KMT2A
SCHEMBL2829924 0.85 ALDH1A1 (0.46) ALDH1A1TSHRTP53MEN1KMT2A
SCHEMBL2836562 0.85 MAPT (0.38) ALDH1A1TSHRTP53MEN1KMT2A
SCHEMBL2833407 0.83 MAPT (0.38) ALDH1A1TSHRTP53MEN1KMT2A

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