SCHEMBL11289194

SCHEMBL11289194

CCCCC(CC)C(=O)OC(=O)C(C)(C)C

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 7/20 0.61
CA1 P00915 4/20 0.61
MAPK1 P28482 2/20 0.52
ATM Q13315 2/20 0.43
GAA P10253 1/20 0.43
XBP1 P17861 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
TSHR P16473 3/20 0.39
CYP3A4 P08684 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
SLC1A3 P43003 1/20 0.37
SLC1A2 P43004 1/20 0.37
SLC1A1 P43005 1/20 0.37
PRSS1 P07477 2/20 0.36
CTSG P08311 2/20 0.36
CTRB1 P17538 2/20 0.36
CMA1 P23946 2/20 0.36
USP2 O75604 1/20 0.36
MEN1 O00255 1/20 0.35

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
SCHEMBL4631068 0.87 CA2 (0.59) CA2CA1MAPK1ATMGAA
SCHEMBL240950 0.86 CA2 (0.73) CA2CA1MAPK1ATMGAA
SCHEMBL6497837 0.86 CA2 (0.41) CA2CA1MAPK1GAANPSR1
SCHEMBL9631627 0.86 CA2 (0.58) CA2CA1MAPK1ATMGAA
SCHEMBL9630881 0.86 CA2 (0.58) CA2CA1MAPK1ATMGAA
SCHEMBL6567059 0.84 CA2 (0.56) CA2CA1MAPK1ATMGAA
SCHEMBL6563257 0.84 CA2 (0.56) CA2CA1MAPK1ATMGAA
SCHEMBL6566739 0.84 CA2 (0.56) CA2CA1MAPK1ATMGAA
SCHEMBL12611894 0.84 CA2 (0.70) CA2CA1MAPK1ATMGAA
SCHEMBL21331329 0.84 CA2 (0.70) 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
CN-117229443-A Polyethylene resin for electronic protective film and preparation method and application thereof 中国石油天然气股份有限公司 2023-12-15 CN disclosed
CN-102445845-A Colored composition for color filter, color filter and method of producing the same, liquid crystal display device, organic electro-luminescence display device, and solid-state imaging element FUJIFILM CORP 2012-05-09 CN disclosed
EP-0053077-A2 Salts of 7-aminocephalosporanic acids, soluble in organic solvents and their use in the preparation of cephalosporins GEMA S.A. (ES) 1982-06-02 EP disclosed