SCHEMBL4737549

SCHEMBL4737549

CNN1CCCC1C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ACE P12821 10/20 0.41
REN P00797 4/20 0.41
LMNA P02545 2/20 0.41
HSD17B10 Q99714 2/20 0.41
CYP2C19 P33261 1/20 0.41
KDM4E B2RXH2 1/20 0.41
F2 P00734 1/20 0.41
LTA4H P09960 1/20 0.41
MAPT P10636 1/20 0.41
PEPD P12955 1/20 0.41
ALOX15 P16050 1/20 0.41
PTGS1 P23219 1/20 0.41
HTR2A P28223 1/20 0.41
PTGS2 P35354 1/20 0.41
HRH1 P35367 1/20 0.41
THPO P40225 1/20 0.41
PMP22 Q01453 1/20 0.41
ACE2 Q9BYF1 1/20 0.41
RAB9A P51151 1/20 0.40

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
SCHEMBL28789104 1.00 ACE (0.41) ACERENLMNAHSD17B10CYP2C19
SCHEMBL6316037 0.83 POLB (0.32) ACERENLMNAHSD17B10CYP2C19
SCHEMBL15165364 0.80 POLB (0.46) LTA4HPEPD
SCHEMBL27889361 0.79 ACE (0.44) ACERENLMNAHSD17B10CYP2C19
SCHEMBL4883087 0.79
SCHEMBL10902722 0.79 LMNA (0.45) ACERENLMNAHSD17B10CYP2C19
SCHEMBL28303308 0.79 LMNA (0.45) ACERENLMNAHSD17B10CYP2C19
SCHEMBL25262378 0.77 POLB (0.39) ACERENLMNAHSD17B10CYP2C19
SCHEMBL3612470 0.77 POLB (0.39) ACERENLMNAHSD17B10CYP2C19
SCHEMBL4492392 0.76 ACE (0.38) ACERENLMNAHSD17B10CYP2C19

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-114761380-A Astaxanthin esters and methods of use thereof 科达士公司 2022-07-15 CN disclosed
EP-3220914-B1 NANOMATERIAL COMPOSITIONS, SYNTHESIS, AND ASSEMBLY RHODE ISLAND HOSPITAL (US) 2020-09-02 EP disclosed
WO-2008073987-A1 SATURATED FUSED [1,2-B] PYRIDAZINONE COMPOUNDS ANADYS PHARMACEUTICALS, INC. (US) 2008-06-19 WO disclosed