SCHEMBL10267484

SCHEMBL10267484

C=CCOCCOCC(C)C

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.43
POLB P06746 1/20 0.43
KMT2A Q03164 1/20 0.43
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40
CA9 Q16790 1/20 0.40
TDP1 Q9NUW8 1/20 0.39
CA7 P43166 1/20 0.39
TSHR P16473 1/20 0.35
ALDH1A1 P00352 1/20 0.31
HSD17B10 Q99714 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
SCHEMBL673256 0.87
Fluoride SCHEMBL27849147 0.85
SCHEMBL12304671 0.84 MEN1 (0.48) MEN1POLBKMT2ACA1CA2
SCHEMBL13943216 0.82 HSD17B10 (0.52) MEN1POLBKMT2ACA1CA2
SCHEMBL28385898 0.82 MEN1 (0.41) MEN1POLBKMT2ACA1CA2
SCHEMBL3435474 0.82 MEN1 (0.41) MEN1POLBKMT2ACA1CA2
SCHEMBL9388619 0.80 MEN1 (0.39) MEN1POLBKMT2ACA1CA2
SCHEMBL16080807 0.79 TDP1 (0.55) MEN1POLBKMT2ACA1CA2
SCHEMBL153914 0.79 POLB (0.52) MEN1POLBKMT2ACA1CA2
SCHEMBL723497 0.79 HSD17B10 (0.41) TDP1TSHRALDH1A1HSD17B10

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-8211972-B2 Emulsifier systems for cosmetic and pharmaceutical oil-in-water emulsions EVONIK GOLDSCHMIDT GMBH (DE) 2012-07-03 US disclosed
US-20100081763-A1 EMULSIFIER SYSTEMS FOR COSMETIC AND PHARMACEUTICAL OIL-IN-WATER EMULSIONS EVONIK GOLDSCHMIDT GMBH (DE) 2010-04-01 US disclosed