SCHEMBL4884774

SCHEMBL4884774

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

nearest known ligand 0.54

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.54
ALDH1A1 P00352 1/20 0.50
TRPA1 O75762 1/20 0.31
ABCC3 O15438 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL4888500 0.86 LMNA (0.67) LMNAALDH1A1
SCHEMBL7050398 0.86 ALDH1A1 (0.63) LMNAALDH1A1
SCHEMBL4883985 0.84 ALDH1A1 (0.48) LMNAALDH1A1TRPA1
SCHEMBL2380019 0.82 ALDH1A1 (0.68) LMNAALDH1A1TRPA1ABCC3SMN1; SMN2
SCHEMBL28070396 0.81 ALDH1A1 (0.50) LMNAALDH1A1TRPA1
SCHEMBL602930 0.80 LMNA (0.65) LMNAALDH1A1TRPA1
SCHEMBL4887944 0.76 LMNA (0.48) LMNAALDH1A1TRPA1
SCHEMBL11313960 0.76 ALDH1A1 (0.50) LMNAALDH1A1TRPA1
Ethohexadiol SCHEMBL2442063 0.76 LMNA (0.70) LMNAALDH1A1
SCHEMBL17599141 0.75 ALDH1A1 (0.54) LMNAALDH1A1TRPA1

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