SCHEMBL2832845

SCHEMBL2832845

CC(C)c1cc(-c2cc(C(C)C)c(OCCOCC3CO3)c(C(C)C)c2)cc(C(C)C)c1OCCOCC1CO1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
ALDH1A1 P00352 6/20 0.38
TDP1 Q9NUW8 2/20 0.38
SRD5A2 P31213 1/20 0.35
TP53 P04637 3/20 0.35
HIF1A Q16665 2/20 0.35
CYP3A4 P08684 1/20 0.35
MAPK1 P28482 1/20 0.34
GLA P06280 1/20 0.33
KDM4E B2RXH2 1/20 0.33
HTT P42858 1/20 0.33
MAPT P10636 2/20 0.32
HPGD P15428 2/20 0.32
MEN1 O00255 1/20 0.32
CYP1A2 P05177 1/20 0.32
KMT2A Q03164 1/20 0.32
PPARG P37231 1/20 0.32
CA1 P00915 1/20 0.31
CA2 P00918 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
SCHEMBL2831072 0.89 TSHR (0.39) TSHRSMN1; SMN2ALDH1A1TDP1TP53
SCHEMBL2829888 0.89 TSHR (0.39) TSHRSMN1; SMN2ALDH1A1TDP1TP53
SCHEMBL2836414 0.86 TSHR (0.43) TSHRSMN1; SMN2ALDH1A1TDP1TP53
SCHEMBL2836085 0.86 ALDH1A1 (0.43) TSHRSMN1; SMN2ALDH1A1TDP1SRD5A2
SCHEMBL2829264 0.83 SRD5A2 (0.37) TSHRSMN1; SMN2ALDH1A1SRD5A2TP53
SCHEMBL2832835 0.82 SRD5A2 (0.36) TSHRSMN1; SMN2ALDH1A1SRD5A2TP53
SCHEMBL2829255 0.81 TSHR (0.46) TSHRSMN1; SMN2ALDH1A1TDP1TP53
SCHEMBL2831550 0.81 ALDH1A1 (0.37) TSHRALDH1A1SRD5A2MEN1KMT2A
SCHEMBL2829963 0.78 SMN1; SMN2 (0.45) TSHRSMN1; SMN2ALDH1A1TDP1TP53
SCHEMBL2834199 0.77 ALDH1A1 (0.37) 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