SCHEMBL3051688

SCHEMBL3051688

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

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.33
ALOX15 P16050 1/20 0.31
HSD17B10 Q99714 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
SCHEMBL28229338 0.78 ALOX15 (0.30) ALOX15HSD17B10
SCHEMBL19105201 0.77 TSHR (0.39) TSHR
SCHEMBL1685981 0.75 TSHR (0.41) TSHRHSD17B10
SCHEMBL4201386 0.71
SCHEMBL7723343 0.69 TSHR (0.31) TSHR
SCHEMBL9204365 0.69
SCHEMBL23200427 0.68 TSHR (0.38) TSHR
SCHEMBL28212048 0.68 TSHR (0.33) TSHR
SCHEMBL93534 0.68
SCHEMBL9704632 0.68 LDHA (0.42) TSHR

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-20100221418-A1 PAVING JOINT MORTARS STADTBAEUMER SIEGMUND KSIAZEK 2010-09-02 US disclosed
US-20080019773-A1 PAVING JOINT MORTARS NATIONAL STARCH AND CHEMICAL INVESTMENT HOLDING CORPORATION (US) 2008-01-24 US disclosed