SCHEMBL4642358

SCHEMBL4642358

C=CC(=O)OC(C)C(=O)O[Si](C(C)C)(C(C)C)C(C)C

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TSHR P16473 7/20 0.41
HPGD P15428 1/20 0.32
ALDH1A1 P00352 3/20 0.31
TP53 P04637 2/20 0.31
HIF1A Q16665 2/20 0.31
CYP3A4 P08684 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
SCHEMBL475926 0.80 TSHR (0.45) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL4642002 0.79 HCAR2 (0.45) ALDH1A1
SCHEMBL14586207 0.79 TSHR (0.50) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL27722868 0.77 TSHR (0.38) TSHRHPGD
SCHEMBL1655986 0.77 TSHR (0.48) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL1657002 0.76 TSHR (0.47) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL16433327 0.76 TSHR (0.47) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL630320 0.76 TSHR (0.47) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL15841108 0.76 TSHR (0.55) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL25056796 0.75 TSHR (0.45) TSHRHPGDALDH1A1TP53HIF1A

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1487928-B1 FILM-FORMING POLYMER AND ANTIFOULING PAINT JOTUN AS (NO) 2008-08-13 EP disclosed