SCHEMBL7594004

SCHEMBL7594004

CCC(CCCC(C)C)CC(C)C

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.43
ALDH1A1 P00352 3/20 0.37
TDP1 Q9NUW8 1/20 0.37
CYP3A4 P08684 2/20 0.36
TSHR P16473 1/20 0.36
BLM P54132 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.30
CA2 P00918 1/20 0.30
TRPM8 Q7Z2W7 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
SCHEMBL29883983 0.95 ALDH1A1 (0.40) LMNAALDH1A1TDP1CYP3A4TSHR
SCHEMBL2687485 0.86 LMNA (0.50) LMNAALDH1A1TDP1CYP3A4TSHR
SCHEMBL1873149 0.84 ALDH1A1 (0.54) LMNAALDH1A1TDP1CYP3A4TSHR
SCHEMBL8579218 0.83 TRPM8 (0.32) ALDH1A1TSHRTRPM8
SCHEMBL9204512 0.82 ALDH1A1 (0.46) LMNAALDH1A1TDP1CYP3A4TSHR
SCHEMBL1996516 0.80 LMNA (0.50) LMNAALDH1A1TDP1CYP3A4TSHR
SCHEMBL23609870 0.80 ALDH1A1 (0.44) ALDH1A1TDP1CYP3A4TSHR
SCHEMBL18963498 0.80 ALDH1A1 (0.44) ALDH1A1TDP1CYP3A4TSHR
SCHEMBL9211183 0.80 LMNA (0.50) LMNAALDH1A1TDP1CYP3A4TSHR
SCHEMBL5142110 0.80 LMNA (0.50) LMNAALDH1A1TDP1CYP3A4TSHR

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1232221-A1 SOLVENT-CONTAINING COATING MATERIAL AND THE USE THEREOF BASF Coatings AG (DE) 2002-08-21 EP disclosed
WO-2001016243-A1 SOLVENT-CONTAINING COATING MATERIAL AND THE USE THEREOF BASF COATINGS AG (DE) 2001-03-08 WO disclosed