SCHEMBL7384530

SCHEMBL7384530

CCCC(C[O])c1cccc2ccccc12

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 2/20 0.44
CYP2C19 P33261 2/20 0.44
ALDH1A1 P00352 1/20 0.44
CYP1A2 P05177 1/20 0.44
SLC6A4 P31645 1/20 0.43
ACP3 P15309 1/20 0.39
AOC3 Q16853 1/20 0.39
KMT2A Q03164 1/20 0.38
GAA P10253 1/20 0.38
HPGD P15428 1/20 0.38
HTT P42858 1/20 0.38

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
SCHEMBL7381115 0.90 ALDH1A1 (0.42) CYP2C9CYP2C19ALDH1A1CYP1A2SLC6A4
SCHEMBL1379349 0.89 ALDH1A1 (0.50) CYP2C9CYP2C19ALDH1A1CYP1A2SLC6A4
SCHEMBL7385972 0.88 CYP2C9 (0.43) CYP2C9CYP2C19ALDH1A1CYP1A2SLC6A4
SCHEMBL2126036 0.86 ALDH1A1 (0.47) CYP2C9CYP2C19ALDH1A1CYP1A2SLC6A4
SCHEMBL3443300 0.86 CYP2C9 (0.47) CYP2C9CYP2C19ALDH1A1CYP1A2SLC6A4
SCHEMBL1061264 0.83 ALDH1A1 (0.44) CYP2C9CYP2C19ALDH1A1CYP1A2SLC6A4
SCHEMBL2127289 0.83 ALDH1A1 (0.44) CYP2C9CYP2C19ALDH1A1CYP1A2SLC6A4
SCHEMBL7384532 0.83 ALDH1A1 (0.44) CYP2C9CYP2C19ALDH1A1CYP1A2SLC6A4
SCHEMBL9640968 0.83 ALDH1A1 (0.44) CYP2C9CYP2C19ALDH1A1CYP1A2SLC6A4
SCHEMBL16594678 0.81 ALDH1A1 (0.43) CYP2C9CYP2C19ALDH1A1CYP1A2SLC6A4

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-101696273-A Polymerizable composition TOYO INK MFG CO 2010-04-21 CN disclosed
CN-101027337-A Polymerizable composition TOYO INK MFG CO (JP) 2007-08-29 CN disclosed
CN-1287117-A Cyclobutene derivatives, preparation method and therapeutic use thereof SANKYO CO (JP) 2001-03-14 CN disclosed
EP-1070703-A1 Cyclobutene derivatives Sankyo Company Limited (JP) 2001-01-24 EP disclosed
EP-0498680-A1 New beta-amino-alpha-hydroxycarboxylic acids and their use Sankyo Company Limited (JP) 1992-08-12 EP disclosed