SCHEMBL4889313

SCHEMBL4889313

CCC(CCCO)CC(O)C(C)CC

nearest known ligand 0.39

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.39
PTPN1 P18031 1/20 0.33
TDP1 Q9NUW8 1/20 0.30
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
SCHEMBL5907121 0.81 PTPN1 (0.41) ALDH1A1PTPN1TDP1LMNA
SCHEMBL8607642 0.79 ALDH1A1 (0.44) ALDH1A1TDP1LMNA
SCHEMBL28272544 0.79 ALDH1A1 (0.44) ALDH1A1TDP1LMNA
SCHEMBL28291287 0.77 TRPA1 (0.41) ALDH1A1TDP1LMNA
SCHEMBL27809448 0.77 ALDH1A1 (0.43) ALDH1A1TDP1LMNA
SCHEMBL28289815 0.77 TRPA1 (0.41) ALDH1A1TDP1LMNA
SCHEMBL4880627 0.76 ALDH1A1 (0.46) ALDH1A1TDP1LMNA
SCHEMBL28349429 0.76 LMNA (0.38) ALDH1A1LMNA
SCHEMBL4890349 0.76 ALDH1A1 (0.39) ALDH1A1TDP1LMNA
SCHEMBL10661911 0.76 ALDH1A1 (0.39) ALDH1A1PTPN1LMNA

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