SCHEMBL7877645

SCHEMBL7877645

CC(C(=O)O)C(C(C)(C)C)C(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.40
SLC7A5 Q01650 1/20 0.39
ALDH1A1 P00352 3/20 0.35
MAPT P10636 1/20 0.35
PTGS1 P23219 1/20 0.35
TSHR P16473 1/20 0.33
SLC1A3 P43003 1/20 0.31
SLC1A2 P43004 1/20 0.31
SLC1A1 P43005 1/20 0.31
GRIK1 P39086 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
SCHEMBL2464055 0.77 TP53 (0.40) TP53SLC7A5ALDH1A1MAPTPTGS1
SCHEMBL17777229 0.74 TP53 (0.38) TP53SLC7A5ALDH1A1MAPTPTGS1
SCHEMBL18211564 0.74 TP53 (0.45) TP53SLC7A5ALDH1A1MAPTPTGS1
SCHEMBL17201497 0.74 TP53 (0.45) TP53SLC7A5ALDH1A1MAPTPTGS1
SCHEMBL5518838 0.74
SCHEMBL98664 0.74
SCHEMBL791743 0.74
SCHEMBL812166 0.73 TP53 (0.57) TP53SLC7A5ALDH1A1TSHR
SCHEMBL812149 0.73 TP53 (0.57) TP53SLC7A5ALDH1A1TSHR
SCHEMBL13310465 0.73 TP53 (0.57) TP53SLC7A5ALDH1A1TSHR

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
US-6322776-B1 Anhydrous high-SPF ultraviolet light screens SCHERING-PLOUGH HEALTHCARE PRODUCTS, INC. 2001-11-27 US disclosed
WO-2000078278-A1 ANHYDROUS ULTRAVIOLET LIGHT SCREENING COMPOSITION CONTAINING OCTOCRYLENE SCHERING-PLOUGH HEALTHCARE PRODUCTS, INC. (US) 2000-12-28 WO disclosed
EP-1060735-A1 Anhydrous ultraviolet light screening composition containing octocrylene SCHERING-PLOUGH HEALTHCARE PRODUCTS, INC. (US) 2000-12-20 EP disclosed