SCHEMBL4883985

SCHEMBL4883985

CCC(CO)CCC(CC)C(O)CC

nearest known ligand 0.48

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.48
LMNA P02545 2/20 0.46
TRPA1 O75762 1/20 0.33

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
SCHEMBL4884774 0.84 LMNA (0.54) ALDH1A1LMNATRPA1
SCHEMBL4887944 0.84 LMNA (0.48) ALDH1A1LMNATRPA1
SCHEMBL2380019 0.80 ALDH1A1 (0.68) ALDH1A1LMNATRPA1
SCHEMBL7050398 0.79 ALDH1A1 (0.63) ALDH1A1LMNA
SCHEMBL4890864 0.76 LMNA (0.40) ALDH1A1LMNA
SCHEMBL19180080 0.75 LMNA (0.48) LMNA
SCHEMBL155021 0.75
SCHEMBL28070396 0.74 ALDH1A1 (0.50) ALDH1A1LMNATRPA1
SCHEMBL4888500 0.74 LMNA (0.67) ALDH1A1LMNA
SCHEMBL602930 0.74 LMNA (0.65) ALDH1A1LMNATRPA1

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
US-20080293880-A1 Liquid, Thermally Curable Mixtures, Their Preparation and Use BASF COATINGS AG (DE) 2008-11-27 US claimed