SCHEMBL11787447

SCHEMBL11787447

CCCOC(C)COC(O)CC

nearest known ligand 0.48

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.48
HSD17B10 Q99714 1/20 0.41
TSHR P16473 2/20 0.39
USP2 O75604 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
SCHEMBL28705865 0.82 TSHR (0.42) TDP1HSD17B10TSHR
SCHEMBL240841 0.81
Water SCHEMBL27514841 0.79
SCHEMBL27683037 0.79
SCHEMBL16892657 0.78 TDP1 (0.39) TDP1TSHR
SCHEMBL414103 0.77 TSHR (0.55) TDP1HSD17B10TSHR
SCHEMBL29806567 0.77 TSHR (0.42) TDP1HSD17B10TSHR
SCHEMBL4895024 0.77 TDP1 (0.45) TDP1HSD17B10
Potassium Ion SCHEMBL28095769 0.77 TSHR (0.46) TDP1HSD17B10TSHRUSP2
SCHEMBL25285050 0.76 TDP1 (0.50) TDP1HSD17B10TSHRUSP2

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
US-3951977-A MINERAL OIL SOLUBLE, ANTIWEAR, ANTIRUST, DISPERSION DETERGENT ADDITIVES STANDARD OIL COMPANY (US) 1976-04-20 US disclosed