SCHEMBL6933803

SCHEMBL6933803

O=C(OCC1CO1)OC1CC=CCC1OC(=O)OCC1CO1

nearest known ligand 0.43

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.43
TP53 P04637 1/20 0.43
CYP3A4 P08684 1/20 0.43
MGLL Q99685 4/20 0.38

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
SCHEMBL2131194 0.80 TP53 (0.58) ALDH1A1TP53CYP3A4MGLL
SCHEMBL377540 0.78 ALDH1A1 (0.57) ALDH1A1TP53CYP3A4MGLL
SCHEMBL11148779 0.77 ALDH1A1 (0.42) ALDH1A1TP53CYP3A4MGLL
SCHEMBL10046289 0.76 ALDH1A1 (0.38) ALDH1A1TP53CYP3A4MGLL
SCHEMBL16340361 0.74 ALDH1A1 (0.53) ALDH1A1TP53CYP3A4MGLL
SCHEMBL427932 0.74 TP53 (0.65) ALDH1A1TP53CYP3A4MGLL
SCHEMBL22657946 0.72 ALDH1A1 (0.52) ALDH1A1TP53CYP3A4MGLL
SCHEMBL8597084 0.72
SCHEMBL6432024 0.72 ALDH1A1 (0.41) ALDH1A1TP53CYP3A4MGLL
SCHEMBL9040239 0.71

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
EP-1091992-B1 RESIN SYSTEM ABB SCHWEIZ AG (CH) 2003-12-03 EP claimed