SCHEMBL4631068

SCHEMBL4631068

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

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA2 P00918 7/20 0.59
CA1 P00915 4/20 0.59
MAPK1 P28482 1/20 0.50
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
CYP3A4 P08684 1/20 0.38
TSHR P16473 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
FAAH O00519 7/20 0.37
CES1 P23141 4/20 0.36
CES2 O00748 1/20 0.36
MEN1 O00255 1/20 0.36
CYP1A2 P05177 1/20 0.36
KMT2A Q03164 1/20 0.36
HSD17B10 Q99714 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
SCHEMBL9630881 0.98 CA2 (0.58) CA2CA1MAPK1ATMGAA
SCHEMBL9631627 0.98 CA2 (0.58) CA2CA1MAPK1ATMGAA
SCHEMBL28208769 0.93 CA2 (0.51) CA2CA1MAPK1FAAHCES1
SCHEMBL28147800 0.89 CA2 (0.44) CA2CA1MAPK1ATMGAA
SCHEMBL11289194 0.87 CA2 (0.61) CA2CA1MAPK1ATMGAA
SCHEMBL27897566 0.87 CA2 (0.39) CA2CA1MAPK1TSHRFAAH
SCHEMBL6566785 0.85 CA1 (0.38) CA2CA1TSHR
SCHEMBL240950 0.85 CA2 (0.73) CA2CA1MAPK1ATMGAA
SCHEMBL6567059 0.83 CA2 (0.56) CA2CA1MAPK1ATMGAA
SCHEMBL6566739 0.83 CA2 (0.56) 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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4316851-A Nickel compounds INSTITUT FRANCAIS DU PETROLE (FR) 1982-02-23 US claimed
EP-1924240-A1 PERSONAL CARE PRODUCTS INCORPORATING CELLULOSIC FATTY ACID ESTERS EASTMAN CHEMICAL COMPANY (US) 2008-05-28 EP disclosed
WO-2007033252-A1 PERSONAL CARE PRODUCTS INCORPORATING CELLULOSIC FATTY ACID ESTERS EASTMAN CHEMICAL COMPANY (US) 2007-03-22 WO disclosed
US-20070053855-A1 Personal care products incorporating cellulosic fatty acid esters EASTMAN CHEMICAL COMPANY 2007-03-08 US disclosed
EP-0277194-B1 OLEFIN OLIGOMERIZATION PROCESS AND CATALYST CHEVRON RESEARCH AND TECHNOLOGY COMPANY (US) 1992-01-02 EP disclosed
EP-0277194-A4 OLEFIN OLIGOMERIZATION PROCESS AND CATALYST. CHEVRON RES (US) 1988-11-23 EP disclosed
EP-0277194-A1 OLEFIN OLIGOMERIZATION PROCESS AND CATALYST. CHEVRON RES (US) 1988-08-10 EP disclosed
WO-1988001261-A1 OLEFIN OLIGOMERIZATION PROCESS AND CATALYST CHEVRON RESEARCH COMPANY (US) 1988-02-25 WO disclosed