SCHEMBL2831072

SCHEMBL2831072

CC(C)c1cc(Cc2cc(C(C)C)c(OCCOCC3CO3)c(C(C)C)c2)cc(C(C)C)c1OCCOCC1CO1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
ALDH1A1 P00352 5/20 0.36
TDP1 Q9NUW8 2/20 0.36
TP53 P04637 3/20 0.33
HIF1A Q16665 2/20 0.33
CYP3A4 P08684 1/20 0.33
MAPK1 P28482 1/20 0.33
GLA P06280 1/20 0.32
KDM4E B2RXH2 1/20 0.32
HTT P42858 1/20 0.32
MAPT P10636 2/20 0.31
HPGD P15428 2/20 0.31
MEN1 O00255 1/20 0.31
CYP1A2 P05177 1/20 0.31
KMT2A Q03164 1/20 0.31
PPARG P37231 1/20 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
SCHEMBL2829888 0.92 TSHR (0.39) TSHRSMN1; SMN2ALDH1A1TDP1TP53
SCHEMBL2832845 0.89 TSHR (0.41) TSHRSMN1; SMN2ALDH1A1TDP1TP53
SCHEMBL2835833 0.87 ALDH1A1 (0.41) TSHRSMN1; SMN2ALDH1A1TDP1TP53
SCHEMBL2833181 0.84 MEN1 (0.34) MEN1KMT2A
SCHEMBL2836414 0.84 TSHR (0.43) TSHRSMN1; SMN2ALDH1A1TDP1TP53
SCHEMBL2832687 0.83 MEN1 (0.33) ALDH1A1MEN1KMT2A
SCHEMBL2836029 0.82 TSHR (0.43) TSHRSMN1; SMN2ALDH1A1TDP1TP53
SCHEMBL2833273 0.82 ALDH1A1 (0.35) ALDH1A1MEN1KMT2A
SCHEMBL2833191 0.79 SMN1; SMN2 (0.42) TSHRSMN1; SMN2ALDH1A1TDP1TP53
SCHEMBL2828882 0.78 ALDH1A1 (0.41) TSHRSMN1; SMN2ALDH1A1TDP1TP53

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