SCHEMBL8406468

SCHEMBL8406468

CCCCC(CC)CC1(CC(CC)CCCC)C(=O)OC(c2ccc3ccccc3c2)OC1=O

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
KDM4E B2RXH2 2/20 0.34
HTT P42858 1/20 0.34
MAPT P10636 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
CYP3A4 P08684 2/20 0.33
CA2 P00918 1/20 0.33
SLC6A4 P31645 4/20 0.33
DRD2 P14416 1/20 0.33
TP53 P04637 1/20 0.32
MMP1 P03956 1/20 0.32
MMP7 P09237 1/20 0.32
ACE P12821 1/20 0.32
MMP12 P39900 1/20 0.32
MMP13 P45452 1/20 0.32
CYP2D6 P10635 1/20 0.32
SLC6A2 P23975 1/20 0.32
SLC6A3 Q01959 1/20 0.32

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
SCHEMBL8406338 0.88 TDP1 (0.38) ALDH1A1KDM4ECA2LMNAPDE2A
SCHEMBL1828953 0.81 TDP1 (0.41) ALDH1A1MEN1KMT2AMAPTL3MBTL1
SCHEMBL8409441 0.69 SMN1; SMN2 (0.36) ALDH1A1KDM4EMAPTL3MBTL1CYP3A4
SCHEMBL8408559 0.69 HTR2C (0.31) KDM4EMAPTL3MBTL1CYP3A4SLC6A4
SCHEMBL8408560 0.68 KDM4E (0.35) KDM4EMAPTL3MBTL1CYP3A4SLC6A4
SCHEMBL8406246 0.66 TSHR (0.39) ALDH1A1MEN1KMT2AMAPTL3MBTL1
SCHEMBL9893490 0.65 ALDH1A1 (0.45) ALDH1A1MEN1KMT2AMAPTL3MBTL1
SCHEMBL3721035 0.63 L3MBTL1 (0.46) ALDH1A1MEN1KMT2AKDM4EHTT
SCHEMBL29377775 0.63 L3MBTL1 (0.46) ALDH1A1MEN1KMT2AKDM4EHTT
SCHEMBL18837355 0.63 CA2 (0.48) ALDH1A1KDM4ECYP3A4CA2LMNA

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