SCHEMBL8823364

SCHEMBL8823364

CCCCC(C(=O)OC1(C(CC)CCCC)OO1)C(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 6/20 0.39
CA1 P00915 4/20 0.39
MAPK1 P28482 1/20 0.35
TSHR P16473 2/20 0.33
ATM Q13315 2/20 0.33
CYP3A4 P08684 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
SLC1A3 P43003 1/20 0.31
SLC1A2 P43004 1/20 0.31
SLC1A1 P43005 1/20 0.31
DPP4 P27487 1/20 0.31
DPP8 Q6V1X1 1/20 0.31
DPP9 Q86TI2 1/20 0.31
DPP7 Q9UHL4 1/20 0.31
GAA P10253 1/20 0.30
XBP1 P17861 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
USP2 O75604 1/20 0.30
LMNA P02545 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
SCHEMBL3123678 0.80 CA2 (0.40) CA2CA1MAPK1TSHRATM
SCHEMBL220715 0.79 CTSK (0.36) CA2CA1MAPK1
SCHEMBL8368535 0.78 ALDH1A1 (0.38) CA2CA1MAPK1TSHRATM
SCHEMBL728140 0.77 CA2 (0.34) CA2CA1MAPK1
SCHEMBL669519 0.77 NAAA (0.38) CA2CA1MAPK1TSHRCYP3A4
SCHEMBL2685758 0.75 NAAA (0.40) CA2CA1TSHRNPSR1LMNA
SCHEMBL16944234 0.72 CA2 (0.60) CA2CA1MAPK1TSHRATM
SCHEMBL373122 0.72 CA2 (0.46) CA2CA1MAPK1TSHRATM
SCHEMBL28413004 0.68 CA2 (0.42) CA2CA1MAPK1TSHRATM
SCHEMBL786580 0.67 USP2 (0.42) CA2CA1SLC1A2SLC1A1USP2

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111093617-A Method for producing oil-in-water emulsion composition, and cosmetic 信越化学工业株式会社 2020-05-01 CN disclosed
EP-0581517-B1 Curable resin composition for coatings and a process for forming a coating film NIPPON PAINT CO LTD (JP) 1997-04-02 EP disclosed
US-5399384-A Acid, weather, wear resistant automobile paint NIPPON PAINT CO., LTD. (JP) 1995-03-21 US disclosed
US-5367027-A Mixture of acrylic polymers containing carboxy, hydroxy and epoxy groups, automotive clear coats NIPPON PAINT CO., LTD. (JP) 1994-11-22 US disclosed
EP-0581517-A2 Curable resin composition for coatings and a process for forming a coating film Nippon Paint Co., Ltd. (JP) 1994-02-02 EP disclosed