SCHEMBL9698535

SCHEMBL9698535

C=CC(=O)OC(C)C(=O)O.C=CC(=O)OCC1CCCO1

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.46
LMNA P02545 2/20 0.45
POLB P06746 1/20 0.45
NPSR1 Q6W5P4 1/20 0.41
MGLL Q99685 1/20 0.41
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
HPGD P15428 1/20 0.36

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
SCHEMBL5064999 0.88 LMNA (0.48) ALDH1A1LMNAPOLBNPSR1MGLL
SCHEMBL28592996 0.88 LMNA (0.48) ALDH1A1LMNAPOLBNPSR1MGLL
SCHEMBL26837 0.85 LMNA (0.58) ALDH1A1LMNAPOLBNPSR1MGLL
SCHEMBL5454190 0.84 LMNA (0.44) ALDH1A1LMNAPOLBNPSR1MGLL
Propane SCHEMBL28178773 0.84 LMNA (0.54) ALDH1A1LMNAPOLBNPSR1MGLL
Acrylic Acid SCHEMBL4077317 0.84 ALDH1A1 (0.55) ALDH1A1LMNAPOLBNPSR1MGLL
SCHEMBL27578081 0.84 LMNA (0.57) ALDH1A1LMNAPOLBNPSR1MGLL
Ethylene SCHEMBL10688183 0.84 LMNA (0.57) ALDH1A1LMNAPOLBNPSR1MGLL
Alcohol SCHEMBL11420827 0.83 LMNA (0.53) ALDH1A1LMNAPOLBNPSR1MGLL
Methacrylic Acid SCHEMBL2594377 0.82 ALDH1A1 (0.50) ALDH1A1LMNAPOLBNPSR1MGLL

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
WO-1992002572-A1 ASSOCIATIVE REACTIVE BLEND-CONTAINING COMPOSITIONS DSM N.V. (NL) 1992-02-20 WO disclosed