SCHEMBL2832820

SCHEMBL2832820

C(CCC1CO1)COCOCCCCC1CO1

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.56
ALDH1A1 P00352 3/20 0.48
TDP1 Q9NUW8 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
EPHX1 P07099 1/20 0.35
SPHK2 Q9NRA0 7/20 0.34
SPHK1 Q9NYA1 6/20 0.34
MAPK1 P28482 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
SCHEMBL2832720 0.93 TSHR (0.52) TSHRALDH1A1TDP1SMN1; SMN2MEN1
SCHEMBL1984470 0.90 TSHR (0.61) TSHRALDH1A1TDP1SMN1; SMN2MEN1
SCHEMBL3238852 0.88 TSHR (0.58) TSHRALDH1A1TDP1SMN1; SMN2MEN1
SCHEMBL2829331 0.88 TSHR (0.58) TSHRALDH1A1TDP1SMN1; SMN2MEN1
SCHEMBL20086271 0.86 TSHR (0.56) TSHRALDH1A1TDP1SMN1; SMN2MEN1
SCHEMBL15962173 0.84 TSHR (0.82) TSHRALDH1A1TDP1SMN1; SMN2MEN1
SCHEMBL2831526 0.82 MEN1 (0.46) TSHRALDH1A1TDP1SMN1; SMN2MEN1
SCHEMBL8768045 0.82 TSHR (0.56) TSHRALDH1A1TDP1SMN1; SMN2MEN1
SCHEMBL19051883 0.82 TSHR (0.78) TSHRALDH1A1TDP1SMN1; SMN2MEN1
SCHEMBL3625996 0.82 ALDH1A1 (0.56) TSHRALDH1A1TDP1SMN1; SMN2MEN1

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