SCHEMBL2829963

SCHEMBL2829963

CCc1cc(-c2cc(CC)c(OCCOCC3CO3)c(CC)c2)cc(CC)c1OCCOCC1CO1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.45
ALDH1A1 P00352 8/20 0.42
TDP1 Q9NUW8 2/20 0.42
TSHR P16473 5/20 0.42
TP53 P04637 3/20 0.36
HIF1A Q16665 2/20 0.36
CYP3A4 P08684 1/20 0.36
MAPK1 P28482 1/20 0.35
GLA P06280 1/20 0.34
MAPT P10636 2/20 0.33
HPGD P15428 2/20 0.33
PKM P14618 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
CYP1A2 P05177 1/20 0.33
PPARG P37231 1/20 0.33
LMNA P02545 1/20 0.33
GAA P10253 1/20 0.33

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
SCHEMBL2831156 0.88 SMN1; SMN2 (0.42) SMN1; SMN2ALDH1A1TDP1TSHRTP53
SCHEMBL2833191 0.88 SMN1; SMN2 (0.42) SMN1; SMN2ALDH1A1TDP1TSHRTP53
SCHEMBL2829945 0.86 ALDH1A1 (0.44) SMN1; SMN2ALDH1A1TDP1TSHRTP53
SCHEMBL2831306 0.85 ALDH1A1 (0.44) SMN1; SMN2ALDH1A1TDP1TSHRTP53
SCHEMBL2830266 0.83 MEN1 (0.33) SMN1; SMN2ALDH1A1TSHRTP53HIF1A
SCHEMBL2829255 0.83 TSHR (0.46) SMN1; SMN2ALDH1A1TDP1TSHRTP53
SCHEMBL2832947 0.81 ALDH1A1 (0.39) SMN1; SMN2ALDH1A1TDP1TSHRTP53
SCHEMBL2828914 0.80 ALDH1A1 (0.42) SMN1; SMN2ALDH1A1TDP1TSHRTP53
SCHEMBL1627011 0.79 ALDH1A1 (0.39) SMN1; SMN2ALDH1A1TDP1TSHRTP53
SCHEMBL2832845 0.78 TSHR (0.41) SMN1; SMN2ALDH1A1TDP1TSHRTP53

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