SCHEMBL2829800

SCHEMBL2829800

C(COCCOCCCC1CO1)CC1CO1

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.54
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.46
ALDH1A1 P00352 5/20 0.46
TDP1 Q9NUW8 2/20 0.43
MAPK1 P28482 1/20 0.33
EPHX1 P07099 1/20 0.33
SPHK2 Q9NRA0 2/20 0.33
SPHK1 Q9NYA1 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
SCHEMBL8768045 0.97 TSHR (0.56) TSHRMEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL2829331 0.92 TSHR (0.58) TSHRMEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL17549874 0.91 TSHR (0.71) TSHRMEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL1984470 0.90 TSHR (0.61) TSHRMEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL14256246 0.89 SMN1; SMN2 (0.48) TSHRMEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL28910854 0.87 TSHR (0.58) TSHRMEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL2832720 0.87 TSHR (0.52) TSHRMEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL30823981 0.87 TSHR (0.58) TSHRMEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL3238852 0.87 TSHR (0.58) TSHRMEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL25435822 0.86 TSHR (0.46) TSHRMEN1KMT2ASMN1; SMN2ALDH1A1

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