SCHEMBL4646875

SCHEMBL4646875

[CH2]CCC(=O)OC(=O)CC(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.41
MIF P14174 1/20 0.34
LMNA P02545 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
SCHEMBL4645157 0.88 ALDH1A1 (0.38) ALDH1A1
SCHEMBL385886 0.83 ALDH1A1 (0.41) ALDH1A1MIFLMNA
SCHEMBL4644220 0.82 ALDH1A1 (0.33) ALDH1A1MIFLMNA
SCHEMBL385887 0.80 ALDH1A1 (0.68) ALDH1A1MIFLMNA
SCHEMBL16816741 0.77 ALDH1A1 (0.50) ALDH1A1LMNA
SCHEMBL182236 0.77 ALDH1A1 (0.42) ALDH1A1MIFLMNA
SCHEMBL4641874 0.76 ALDH1A1 (0.37) ALDH1A1
SCHEMBL4644724 0.75 CYP2D6 (0.33) MIFLMNA
SCHEMBL10778369 0.74 DGKA (0.52) ALDH1A1LMNA
SCHEMBL29022868 0.74 DGKA (0.52) ALDH1A1LMNA

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-1487928-B1 FILM-FORMING POLYMER AND ANTIFOULING PAINT JOTUN AS (NO) 2008-08-13 EP disclosed