SCHEMBL2833191

SCHEMBL2833191

CCc1cc(Cc2cc(CC)c(OCCOCC3CO3)c(CC)c2)cc(CC)c1OCCOCC1CO1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.42
ALDH1A1 P00352 3/20 0.41
TDP1 Q9NUW8 2/20 0.41
TSHR P16473 4/20 0.40
TP53 P04637 2/20 0.34
CYP3A4 P08684 1/20 0.34
HIF1A Q16665 1/20 0.34
MAPK1 P28482 1/20 0.33
MGLL Q99685 2/20 0.33
GLA P06280 1/20 0.33
DHFR P00374 1/20 0.32
MEN1 O00255 1/20 0.31
CYP1A2 P05177 1/20 0.31
MAPT P10636 1/20 0.31
HPGD P15428 1/20 0.31
KMT2A Q03164 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
SCHEMBL2831156 0.91 SMN1; SMN2 (0.42) SMN1; SMN2ALDH1A1TDP1TSHRTP53
SCHEMBL2829963 0.88 SMN1; SMN2 (0.45) SMN1; SMN2ALDH1A1TDP1TSHRTP53
SCHEMBL2829952 0.86 ALDH1A1 (0.42) SMN1; SMN2ALDH1A1TDP1TSHRTP53
SCHEMBL2836029 0.84 TSHR (0.43) SMN1; SMN2ALDH1A1TDP1TSHRTP53
SCHEMBL2829958 0.84 MEN1 (0.35) SMN1; SMN2ALDH1A1TSHRTP53CYP3A4
SCHEMBL2829945 0.83 ALDH1A1 (0.44) SMN1; SMN2ALDH1A1TDP1TSHRTP53
SCHEMBL2833378 0.82 ALDH1A1 (0.37) SMN1; SMN2ALDH1A1DHFRMEN1KMT2A
SCHEMBL2834158 0.81 ALDH1A1 (0.40) SMN1; SMN2ALDH1A1TDP1TSHRDHFR
SCHEMBL2831072 0.79 TSHR (0.39) SMN1; SMN2ALDH1A1TDP1TSHRTP53
SCHEMBL2833433 0.79 TSHR (0.39) 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