SCHEMBL5594937

SCHEMBL5594937

CCCC(CCCCC(C)C)CCC(C)C

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.43
OPRM1 P35372 1/20 0.35
ALDH1A1 P00352 3/20 0.32
TDP1 Q9NUW8 1/20 0.32
TSHR P16473 2/20 0.31
CYP3A4 P08684 1/20 0.31

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
SCHEMBL6011981 0.92 LMNA (0.46) LMNAOPRM1ALDH1A1TDP1TSHR
SCHEMBL7644959 0.90 ALDH1A1 (0.42) LMNAOPRM1ALDH1A1TDP1TSHR
SCHEMBL25654115 0.89 TSHR (0.36) LMNATSHR
SCHEMBL18432779 0.87 LMNA (0.48) LMNAOPRM1ALDH1A1TDP1TSHR
SCHEMBL10732616 0.87 LMNA (0.52) LMNAOPRM1TSHR
SCHEMBL28901552 0.85 LMNA (0.50) LMNAOPRM1TSHR
SCHEMBL28647647 0.85 LMNA (0.50) LMNAOPRM1TSHR
SCHEMBL16594598 0.83 ALDH1A1 (0.46) LMNAOPRM1ALDH1A1TDP1TSHR
SCHEMBL17526525 0.83 LMNA (0.43) LMNAOPRM1ALDH1A1TSHR
SCHEMBL13635001 0.83 LMNA (0.39) LMNAOPRM1ALDH1A1TDP1CYP3A4

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-1858480-A1 COSMETIC COMPOSITIONS CONTAINING ESTERS BASED ON 2-PROPYLHEPTANOL Cognis IP Management GmbH (DE) 2007-11-28 EP disclosed
WO-2006097235-A1 COSMETIC COMPOSITIONS CONTAINING ESTERS BASED ON 2-PROPYLHEPTANOL COGNIS IP MANAGEMENT GMBH (DE) 2006-09-21 WO disclosed