SCHEMBL7777475

SCHEMBL7777475

CC=C(C)C(=O)OCCOCCC

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
THRB P10828 2/20 0.46
TSHR P16473 6/20 0.42
ALDH1A1 P00352 5/20 0.42
HSD17B10 Q99714 3/20 0.38
TP53 P04637 2/20 0.38
HIF1A Q16665 2/20 0.38
HCAR2 Q8TDS4 1/20 0.34
ATM Q13315 1/20 0.32
DGKA P23743 1/20 0.31
GLO1 Q04760 1/20 0.31
CES2 O00748 1/20 0.31
HPGD P15428 1/20 0.31
ACHE P22303 1/20 0.31
GAA P10253 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
LMNA P02545 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
SCHEMBL6452895 0.92 THRB (0.47) THRBTSHRALDH1A1HSD17B10TP53
SCHEMBL27485951 0.92 THRB (0.47) THRBTSHRALDH1A1HSD17B10TP53
SCHEMBL3768916 0.88 THRB (0.60) THRBTSHRALDH1A1HSD17B10TP53
SCHEMBL15302627 0.88 THRB (0.60) THRBTSHRALDH1A1HSD17B10TP53
SCHEMBL2419657 0.87 HCAR2 (0.43) THRBTSHRALDH1A1HSD17B10HCAR2
SCHEMBL730199 0.87 HCAR2 (0.43) THRBTSHRALDH1A1HSD17B10HCAR2
SCHEMBL2351899 0.87 HCAR2 (0.43) THRBTSHRALDH1A1HSD17B10HCAR2
SCHEMBL22129637 0.87 TSHR (0.49) THRBTSHRALDH1A1HCAR2DGKA
SCHEMBL9701061 0.86 THRB (0.62) THRBTSHRALDH1A1HSD17B10TP53
SCHEMBL20522544 0.85 TSHR (0.51) THRBTSHRALDH1A1HCAR2DGKA

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
EP-1126792-A1 ANTIMICROBIAL COMPOSITIONS THAT PROTECT SKIN AND DENTAL TISSUE Nathoo, Salim A. (US) 2001-08-29 EP disclosed
WO-2000025697-A1 ANTIMICROBIAL COMPOSITIONS THAT PROTECT SKIN AND DENTAL TISSUE NATHOO SALIM A (US) 2000-05-11 WO disclosed