SCHEMBL5080131

SCHEMBL5080131

C=CC(C)=COC(=O)C(C)=CCCCC

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.36
HPGD P15428 1/20 0.36
EP300 Q09472 1/20 0.33
ALDH1A1 P00352 1/20 0.32
CYP2D6 P10635 1/20 0.31
CYP2C19 P33261 1/20 0.31
ZDHHC20 Q5W0Z9 1/20 0.31
ZDHHC2 Q9UIJ5 1/20 0.31
GRIK1 P39086 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
SCHEMBL5080965 0.90 CYP2D6 (0.33) TSHRHPGDCYP2D6CYP2C19
SCHEMBL8197132 0.83 TSHR (0.37) TSHRHPGDEP300ALDH1A1CYP2D6
SCHEMBL5080953 0.83 ALDH1A1 (0.31) TSHRALDH1A1
SCHEMBL5929268 0.77 TSHR (0.46) TSHRHPGDEP300ALDH1A1CYP2D6
SCHEMBL3291840 0.77 EP300 (0.46) TSHREP300CYP2C19
SCHEMBL27639718 0.77 EP300 (0.46) TSHREP300CYP2C19
SCHEMBL5083674 0.75 TSHR (0.37) TSHRHPGDALDH1A1ZDHHC20ZDHHC2
SCHEMBL161379 0.75 ALDH1A1 (0.36) ALDH1A1
SCHEMBL7754867 0.75 EP300 (0.41) TSHREP300ALDH1A1CYP2D6CYP2C19
SCHEMBL29233315 0.75 ALDH1A1 (0.36) ALDH1A1

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-20080064787-A1 Core-shell latex polymer comprising a crystalline polymer and method of preparing a core-shell latex polymer SAMSUNG ELECTRONICS CO., LTD. (KR) 2008-03-13 US disclosed
US-20050159530-A1 Core-shell latex polymer comprising a crystalline polymer and method of preparing a core-shell latex polymer SAMSUNG ELECTRONICS CO., LTD. 2005-07-21 US disclosed