SCHEMBL2883101

SCHEMBL2883101

C=C(C)C(=O)OCC1(CCCC)CCCO1

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.43
ALDH1A1 P00352 1/20 0.36
SIRT2 Q8IXJ6 1/20 0.35
THRB P10828 1/20 0.34
PRKCA P17252 8/20 0.32
PRKCD Q05655 1/20 0.30
LMNA P02545 1/20 0.30
POLB P06746 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL2885352 0.92 TSHR (0.38) TSHRALDH1A1THRB
SCHEMBL2882378 0.87 ALDH1A1 (0.40) TSHRALDH1A1THRBPOLB
SCHEMBL5281867 0.87 ALDH1A1 (0.42) TSHRALDH1A1THRBPOLB
SCHEMBL15557466 0.84 TSHR (0.49) TSHRALDH1A1THRBPRKCAPRKCD
SCHEMBL2878357 0.82 TSHR (0.44) TSHRALDH1A1SIRT2THRBPRKCA
SCHEMBL2884061 0.79 TSHR (0.44) TSHRALDH1A1THRB
SCHEMBL503987 0.77 SIRT2 (0.36) SIRT2
SCHEMBL1357095 0.76 ALDH1A1 (0.43) TSHRALDH1A1THRB
SCHEMBL7196483 0.75 TSHR (0.40) TSHRALDH1A1SIRT2PRKCAPRKCD
SCHEMBL11543055 0.74 TSHR (0.38) TSHRALDH1A1

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-7759451-B2 Fumaric diester copolymer TOSOH CORPORATION (JP) 2010-07-20 US disclosed
US-20070298247-A1 Fumaric diester copolymer TOSOH CORPORATION (JP) 2007-12-27 US disclosed