SCHEMBL6493227

SCHEMBL6493227

CCC(OCC1CO1)C(CCC(=O)O)(C(=O)O)C(CC)OCC1CO1

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.33
MEN1 O00255 1/20 0.32
CYP1A2 P05177 1/20 0.32
THRB P10828 1/20 0.32
KMT2A Q03164 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
SCHEMBL6492272 0.91 ALDH1A1 (0.31) ALDH1A1MEN1KMT2A
SCHEMBL6503000 0.76 TSHR (0.37) ALDH1A1
SCHEMBL6153672 0.69 ALDH1A1 (0.41) ALDH1A1MEN1CYP1A2KMT2A
SCHEMBL11730549 0.68 MEN1 (0.38) ALDH1A1MEN1CYP1A2THRBKMT2A
SCHEMBL3295337 0.68 ALDH1A1 (0.38) ALDH1A1
SCHEMBL5087023 0.67 ALDH1A1 (0.40) ALDH1A1
SCHEMBL6406979 0.66 ALDH1A1 (0.38) ALDH1A1MEN1CYP1A2KMT2A
Acetic Acid SCHEMBL29152749 0.66 ALDH1A1 (0.43) ALDH1A1
SCHEMBL529971 0.65 ALDH1A1 (0.41) ALDH1A1MEN1CYP1A2KMT2A
SCHEMBL2293347 0.65 ALDH1A1 (0.37) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040102544-A1 Reworkable epoxidized 1-(cyclo) alkenyl ether/polycarboxylic acid product HENKEL CORPORATION 2004-05-27 US claimed
US-6936664-B2 Reworkable epoxidized 1-(cyclo) alkenyl ether/polycarboxylic acid product HENKEL CORPORATION (US) 2005-08-30 US disclosed
US-20040102544-A1 Reworkable epoxidized 1-(cyclo) alkenyl ether/polycarboxylic acid product HENKEL CORPORATION 2004-05-27 US disclosed