SCHEMBL6011899

SCHEMBL6011899

CCCC(CC)CCCCCCCC(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.42
ALDH1A1 P00352 3/20 0.41
TDP1 Q9NUW8 2/20 0.41
CYP3A4 P08684 4/20 0.39
TSHR P16473 2/20 0.39
OPRM1 P35372 1/20 0.39
CA2 P00918 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.33
SPHK1 Q9NYA1 1/20 0.32
PRSS1 P07477 1/20 0.32
PRSS2 P07478 1/20 0.32
PRSS3 P35030 1/20 0.32
TP53 P04637 1/20 0.31
ATM Q13315 1/20 0.31
ADH1B P00325 1/20 0.30
ADH1C P00326 1/20 0.30
ADH1A P07327 1/20 0.30
ADH4 P08319 1/20 0.30
ADH7 P40394 1/20 0.30
PLA2G1B P04054 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
SCHEMBL6011981 0.90 LMNA (0.46) LMNAALDH1A1TDP1CYP3A4TSHR
SCHEMBL10811553 0.87 ALDH1A1 (0.54) LMNAALDH1A1TDP1CYP3A4TSHR
SCHEMBL3964955 0.87 LMNA (0.48) LMNAALDH1A1TDP1CYP3A4TSHR
Ammonia Solution, Strong SCHEMBL28631050 0.87 ALDH1A1 (0.46) LMNAALDH1A1TDP1CYP3A4TSHR
SCHEMBL3972497 0.87 LMNA (0.48) LMNAALDH1A1TDP1CYP3A4TSHR
SCHEMBL10732616 0.85 LMNA (0.52) LMNATSHROPRM1SPHK1ADH1B
SCHEMBL28082913 0.85 ALDH1A1 (0.52) LMNAALDH1A1TDP1CYP3A4TSHR
SCHEMBL4557001 0.84 LMNA (0.56) LMNAALDH1A1TDP1CYP3A4TSHR
SCHEMBL3438481 0.84 LMNA (0.56) LMNAALDH1A1TDP1CYP3A4TSHR
SCHEMBL9033403 0.84 LMNA (0.56) 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-1622879-A1 PYRIMIDINE COMPOUNDS AND PESTS CONTROLLING COMPOSITION CONTAINING THE SAME Sumitomo Chemical Company, Limited (JP) 2006-02-08 EP disclosed
WO-2004099160-A1 PYRIMIDINE COMPOUNDS AND PESTS CONTROLLING COMPOSITION CONTAINING THE SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2004-11-18 WO disclosed