SCHEMBL3801335

SCHEMBL3801335

CCC=C(C)C(=O)ON(CCCCCCCC)CCCCCCCC

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ZDHHC20 Q5W0Z9 3/20 0.36
ZDHHC2 Q9UIJ5 1/20 0.36
TSHR P16473 2/20 0.35
CES2 O00748 4/20 0.33
EP300 Q09472 1/20 0.33
DNM1 Q05193 4/20 0.33
EPHX2 P34913 2/20 0.32
CES1 P23141 3/20 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
SCHEMBL3688741 1.00 ZDHHC20 (0.36) ZDHHC20ZDHHC2TSHRCES2EP300
SCHEMBL1853325 0.98 ZDHHC20 (0.33) ZDHHC20ZDHHC2TSHRCES2EP300
SCHEMBL23879202 0.93 CA12 (0.33) TSHRCES1
SCHEMBL1085830 0.93 CA12 (0.33) TSHRCES1
SCHEMBL11026994 0.86
SCHEMBL28019376 0.84 DNM1 (0.40) ZDHHC20ZDHHC2TSHREP300DNM1
SCHEMBL28061988 0.81 CA12 (0.32) EP300CES1
SCHEMBL17157534 0.81
SCHEMBL28048587 0.79 CA12 (0.35) TSHRCES1
SCHEMBL515572 0.78

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-7786208-B2 Modified natural rubber masterbatch and method for producing the same as well as rubber composition and tire BRIDGESTONE CORPORATION (JP) 2010-08-31 US disclosed
US-20080125534-A1 Modified Natural Rubber Masterbatch And Method For Producing The Same As Well As Rubber Composition And Tire BRIDGESTONE CORPORATION (JP) 2008-05-29 US disclosed