SCHEMBL7196483

SCHEMBL7196483

C=C(C)C(=O)OCC1(CCCC)COC(=O)O1

nearest known ligand 0.40

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.40
PRKCA P17252 14/20 0.35
PRKCD Q05655 3/20 0.35
ALDH1A1 P00352 1/20 0.33
SIRT2 Q8IXJ6 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
SCHEMBL7196527 0.92 TSHR (0.36) TSHRPRKCAPRKCDALDH1A1
SCHEMBL7192883 0.87 ALDH1A1 (0.36) TSHRPRKCAPRKCDALDH1A1
SCHEMBL15557466 0.83 TSHR (0.49) TSHRPRKCAPRKCDALDH1A1
SCHEMBL7200430 0.75 ALDH1A1 (0.38) TSHRALDH1A1
SCHEMBL2883101 0.75 TSHR (0.43) TSHRPRKCAPRKCDALDH1A1SIRT2
SCHEMBL3286712 0.74 TSHR (0.43) TSHRALDH1A1
SCHEMBL2882617 0.72 TSHR (0.46) TSHRPRKCAALDH1A1
SCHEMBL8588553 0.72 ALDH1A1 (0.38) TSHRPRKCAALDH1A1
SCHEMBL7872075 0.72 ALDH1A1 (0.36) TSHRALDH1A1
SCHEMBL9282633 0.72 ALDH1A1 (0.40) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0735118-B1 POWDER COATING RESIN COMPOSITION DOW CORNING TORAY SILICONE (JP) 2003-07-23 EP disclosed
US-6090890-A EPOXY-FUNCTIONAL BRANCHED ORGANOPOLYSILOXANE AND AN ACRYLIC RESIN CONTAINING AROMATIC VINYL MONOMERIC UNITS IN AN AMOUNT OF FROM 5 TO 70 WT %, AND FLUORORESINS, SAID COMPOUND BEARING A FUNCTIONAL GROUP REACTIVE WITH THE EPOXY GROUP DOW CORNING TORAY SILICONE CO., LTD. (JP) 2000-07-18 US disclosed
EP-0735118-A1 POWDER COATING RESIN COMPOSITION Dow Corning Toray Silicone Co., Ltd. (JP) 1996-10-02 EP disclosed