SCHEMBL3972497

SCHEMBL3972497

CCC(CC)CCCCCCCCCCCCCCC(C)C

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.48
ALDH1A1 P00352 3/20 0.40
TDP1 Q9NUW8 1/20 0.40
CYP3A4 P08684 3/20 0.39
TSHR P16473 1/20 0.39
CA2 P00918 2/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
TRPM8 Q7Z2W7 1/20 0.32
OPRM1 P35372 1/20 0.32
KDM4C Q9H3R0 2/20 0.31
KDM4A O75164 1/20 0.31
PHF8 Q9UPP1 1/20 0.31
KDM2A Q9Y2K7 1/20 0.31
SPHK1 Q9NYA1 1/20 0.31
TRPV1 Q8NER1 1/20 0.31
TRPA1 O75762 1/20 0.31
PRSS1 P07477 1/20 0.31
PRSS2 P07478 1/20 0.31
PRSS3 P35030 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
SCHEMBL3964955 1.00 LMNA (0.48) LMNAALDH1A1TDP1CYP3A4TSHR
SCHEMBL1996516 0.97 LMNA (0.50) LMNAALDH1A1TDP1CYP3A4TSHR
SCHEMBL2687485 0.91 LMNA (0.50) LMNAALDH1A1TDP1CYP3A4TSHR
SCHEMBL11578114 0.87 ALDH1A1 (0.48) LMNAALDH1A1TDP1CYP3A4TSHR
SCHEMBL25341506 0.87 ALDH1A1 (0.48) LMNAALDH1A1TDP1CYP3A4TSHR
SCHEMBL6011899 0.87 LMNA (0.42) LMNAALDH1A1TDP1CYP3A4TSHR
SCHEMBL17526541 0.85 LMNA (0.44) LMNAALDH1A1TDP1CYP3A4TSHR
SCHEMBL17526688 0.85 LMNA (0.44) LMNAALDH1A1TDP1CYP3A4TSHR
SCHEMBL7627202 0.85 ALDH1A1 (0.62) LMNAALDH1A1TDP1CYP3A4TSHR
SCHEMBL10662960 0.84 ALDH1A1 (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-2051779-A1 COSMETIC COMPOSITIONS CONTAINING ESTERS OF 2-ETHYLBUTANOL Cognis IP Management GmbH (DE) 2009-04-29 EP disclosed
WO-2008019793-A1 COSMETIC COMPOSITIONS CONTAINING ESTERS OF 2-ETHYLBUTANOL COGNIS IP MANAGEMENT GMBH (DE) 2008-02-21 WO disclosed