SCHEMBL2829255

SCHEMBL2829255

Cc1cc(-c2cc(C)c(OCCOCC3CO3)c(C)c2)cc(C)c1OCCOCC1CO1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.46
SMN1; SMN2 Q16637 2/20 0.44
ALDH1A1 P00352 8/20 0.42
TDP1 Q9NUW8 2/20 0.42
GLA P06280 1/20 0.40
TP53 P04637 3/20 0.39
HIF1A Q16665 2/20 0.39
CYP3A4 P08684 1/20 0.39
MAPK1 P28482 1/20 0.38
MAPT P10636 3/20 0.35
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
HPGD P15428 2/20 0.35
CYP1A2 P05177 1/20 0.35
PPARG P37231 1/20 0.35
HTR2A P28223 2/20 0.34
HTR7 P34969 2/20 0.34
HTR1A P08908 2/20 0.34
KDM4E B2RXH2 1/20 0.34
ADRA1A P35348 1/20 0.34

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
SCHEMBL2836029 0.87 TSHR (0.43) TSHRSMN1; SMN2ALDH1A1TDP1GLA
SCHEMBL2830348 0.87 TSHR (0.43) TSHRSMN1; SMN2ALDH1A1TDP1GLA
SCHEMBL2836746 0.86 ALDH1A1 (0.49) TSHRSMN1; SMN2ALDH1A1TDP1GLA
SCHEMBL12464752 0.85 ALDH1A1 (0.42) TSHRSMN1; SMN2ALDH1A1TDP1GLA
SCHEMBL13117147 0.84 ALDH1A1 (0.50) TSHRSMN1; SMN2ALDH1A1TDP1GLA
SCHEMBL49658 0.84 ALDH1A1 (0.50) TSHRSMN1; SMN2ALDH1A1TDP1GLA
SCHEMBL6295952 0.83 ALDH1A1 (0.47) TSHRSMN1; SMN2ALDH1A1TDP1GLA
SCHEMBL2829963 0.83 SMN1; SMN2 (0.45) TSHRSMN1; SMN2ALDH1A1TDP1GLA
Water SCHEMBL7640555 0.82 ALDH1A1 (0.49) TSHRSMN1; SMN2ALDH1A1TDP1GLA
SCHEMBL2833471 0.81 TSHR (0.41) TSHRSMN1; SMN2ALDH1A1TDP1GLA

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