SCHEMBL29017451

SCHEMBL29017451

CCOCC(CO)OCC.CCOCC(CO)OCC

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.36
THRB P10828 1/20 0.35
LMNA P02545 1/20 0.33
USP2 O75604 1/20 0.33
CNR1 P21554 1/20 0.32
CNR2 P34972 1/20 0.32
MAPT P10636 1/20 0.32
MAPK1 P28482 1/20 0.32
PRKCA P17252 3/20 0.32
PRKCE Q02156 1/20 0.32
PRKCQ Q04759 1/20 0.32
PRKCD Q05655 1/20 0.32

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
SCHEMBL304955 1.00 ALDH1A1 (0.36) ALDH1A1THRBLMNAUSP2CNR1
Ethylene SCHEMBL23276997 0.95 ALDH1A1 (0.33) ALDH1A1THRBLMNAUSP2CNR1
SCHEMBL14848972 0.88 ALDH1A1 (0.35) ALDH1A1USP2CNR1CNR2MAPT
SCHEMBL14848965 0.88 THRB (0.33) ALDH1A1THRBLMNAUSP2CNR1
SCHEMBL16656647 0.86 ALDH1A1 (0.33) ALDH1A1USP2CNR1CNR2MAPT
SCHEMBL9446799 0.84 ALDH1A1 (0.48) ALDH1A1THRBUSP2CNR1CNR2
SCHEMBL17213449 0.84 USP2 (0.42) ALDH1A1USP2CNR1CNR2MAPT
SCHEMBL5765642 0.84 USP2 (0.47) ALDH1A1USP2CNR1CNR2MAPT
SCHEMBL8522872 0.84 ALDH1A1 (0.48) ALDH1A1THRBUSP2CNR1CNR2
SCHEMBL15980581 0.84 ALDH1A1 (0.33) ALDH1A1THRBUSP2CNR1CNR2

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
CN-116262886-A Cleaning agent with stain stripping enhancing effect 纳爱斯浙江科技有限公司 2023-06-16 CN disclosed