SCHEMBL8406246

SCHEMBL8406246

CCCCC(CC)CC1(CC(CC)CCCC)C(=O)OCOC1=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.39
ALDH1A1 P00352 5/20 0.37
TDP1 Q9NUW8 2/20 0.37
CYP3A4 P08684 5/20 0.36
CA2 P00918 3/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
CHRM2 P08172 1/20 0.33
HTR1A P08908 1/20 0.33
ADRA2A P08913 1/20 0.33
ADORA3 P0DMS8 1/20 0.33
CHRM1 P11229 1/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
OPRM1 P35372 1/20 0.33
DRD3 P35462 1/20 0.33
SLC6A3 Q01959 1/20 0.33
KCNH2 Q12809 1/20 0.33
CYP2D6 P10635 1/20 0.33
MEN1 O00255 1/20 0.33
MAPT P10636 1/20 0.33

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
SCHEMBL8409813 0.87 LMNA (0.37) TSHRMAPT
SCHEMBL9893490 0.78 ALDH1A1 (0.45) TSHRALDH1A1TDP1CYP3A4CA2
SCHEMBL8123553 0.70 CA2 (0.39) TSHRALDH1A1TDP1CYP3A4CA2
SCHEMBL16735918 0.69 ELANE (0.41)
SCHEMBL1594490 0.69 ALDH1A1 (0.33) TSHRALDH1A1TDP1CYP3A4CA2
SCHEMBL16736010 0.67 MMP2 (0.37)
SCHEMBL11131328 0.66 CA2 (0.41) TSHRALDH1A1TDP1CYP3A4CA2
SCHEMBL387001 0.63
SCHEMBL3884493 0.63 ALDH1A1 (0.68) TSHRALDH1A1TDP1CYP3A4CA2
SCHEMBL2422013 0.63 ALDH1A1 (0.45) TSHRALDH1A1TDP1CYP3A4CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0663206-B1 Naphthalenmethylenemalonic diesters, and UV absorbers and cosmetic compositions containing the diesters KAO CORP (JP) 1999-07-14 EP disclosed
US-5508025-A SUNSCREEN AGENTS KAO CORPORATION (JP) 1996-04-16 US disclosed
EP-0663206-A1 Naphthalenmethylenemalonic diesters, and UV absorbers and cosmetic compositions containing the diesters Kao Corporation (JP) 1995-07-19 EP disclosed