SCHEMBL9960580

SCHEMBL9960580

CCCC[C@H](CC)C(=O)OCC(COC(=O)[C@@H](CC)CCCC)(COC(=O)[C@@H](CC)CCCC)COC(=O)[C@@H](CC)CCCC

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 7/20 0.63
CA1 P00915 4/20 0.63
MAPK1 P28482 2/20 0.53
ATM Q13315 2/20 0.44
GAA P10253 1/20 0.44
XBP1 P17861 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
TSHR P16473 3/20 0.40
CYP3A4 P08684 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
SLC1A3 P43003 1/20 0.38
SLC1A2 P43004 1/20 0.38
SLC1A1 P43005 1/20 0.38
USP2 O75604 1/20 0.37
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL93763 1.00 CA2 (0.63) CA2CA1MAPK1ATMGAA
SCHEMBL30444736 0.95 CA2 (0.58) CA2CA1MAPK1ATMGAA
SCHEMBL187925 0.93 CA2 (0.59) CA2CA1MAPK1ATMGAA
SCHEMBL2806008 0.93 CA2 (0.59) CA2CA1MAPK1ATMGAA
SCHEMBL80648 0.93 CA2 (0.59) CA2CA1MAPK1ATMGAA
SCHEMBL31396735 0.93 CA2 (0.59) CA2CA1MAPK1ATMGAA
SCHEMBL5344946 0.90 CA2 (0.53) CA2CA1MAPK1ATMGAA
SCHEMBL813789 0.90 CA2 (0.56) CA2CA1MAPK1ATMGAA
SCHEMBL1004665 0.90 CA2 (0.56) CA2CA1MAPK1ATMGAA
SCHEMBL14640944 0.89 CA2 (0.63) CA2CA1MAPK1ATMGAA

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-2654680-B1 COSMETIC COMPOSITION COMPRISING SILICA AEROGEL PARTICLES AND HYDROCARBON-BASED OILS OREAL (FR) 2019-01-23 EP disclosed
EP-2654680-A2 COSMETIC COMPOSITION COMPRISING SILICA AEROGEL PARTICLES AND HYDROCARBON-BASED OILS L'Oréal (FR) 2013-10-30 EP disclosed
WO-2012084781-A2 COSMETIC COMPOSITION COMPRISING SILICA AEROGELS PARTICLES AND HYDROCARBON-BASED OILS L'OREAL (FR) 2012-06-28 WO disclosed