SCHEMBL6158271

SCHEMBL6158271

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

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 1/20 0.33
ACE2 Q9BYF1 1/20 0.33
CA2 P00918 1/20 0.33
MAPK1 P28482 1/20 0.33
GRM2 Q14416 1/20 0.33
GRM3 Q14832 1/20 0.33
GPR84 Q9NQS5 4/20 0.32
FFAR1 O14842 1/20 0.32
CA1 P00915 1/20 0.32
FDPS P14324 1/20 0.32
ALDH1A1 P00352 1/20 0.32
TSHR P16473 1/20 0.32
SLC22A6 Q4U2R8 1/20 0.32
SLC22A8 Q8TCC7 1/20 0.32

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
SCHEMBL27814491 0.90 ACE2 (0.31) AKR1B1ACE2CA2MAPK1GRM2
SCHEMBL28123232 0.87 GRM2 (0.34) GRM2GRM3
SCHEMBL476932 0.82 AKR1B1 (0.42) AKR1B1GPR84FFAR1FDPSALDH1A1
SCHEMBL13519367 0.81 ALDH1A1 (0.32) ALDH1A1
SCHEMBL13519436 0.81 EP300 (0.40)
SCHEMBL28846366 0.80 CA2 (0.39) CA2MAPK1GPR84FFAR1CA1
SCHEMBL21270036 0.80 AKR1B1 (0.40) AKR1B1GPR84FFAR1FDPSALDH1A1
SCHEMBL21269781 0.80 AKR1B1 (0.40) AKR1B1GPR84FFAR1FDPSALDH1A1
SCHEMBL21270014 0.80 AKR1B1 (0.40) AKR1B1GPR84FFAR1FDPSALDH1A1
SCHEMBL28875703 0.80 AKR1B1 (0.40) AKR1B1GPR84FFAR1FDPSALDH1A1

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
US-20050187359-A1 Solid catalyst component for olefin polymerization, catalyst for olefin polymerization and method for producing olefin polymer IDEMITSU KOSAN CO., LTD (JP) 2005-08-25 US disclosed
CN-1653092-A Solid catalyst component for olefin polymerization, catalyst for olefin polymerization, and process for producing olefin polymer IDEMITSU KOSAN CO (JP) 2005-08-10 CN disclosed
EP-1505084-A1 SOLID CATALYST COMPONENT FOR OLEFIN POLYMERIZATION, CATALYST FOR OLEFIN POLYMERIZATION AND METHOD FOR PRODUCING OLEFIN POLYMER IDEMITSU KOSAN CO., LTD. (JP) 2005-02-09 EP disclosed