SCHEMBL5538451

SCHEMBL5538451

CCCCCCCCCCCCCCCC(C(=O)O)n1ccnc1

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 10/20 0.47
TBXA2R P21731 1/20 0.46
CYP17A1 P05093 1/20 0.43
GPR84 Q9NQS5 3/20 0.42
FFAR1 O14842 1/20 0.42
MAPT P10636 1/20 0.41
LCK P06239 1/20 0.41
PPARD Q03181 1/20 0.41
ZDHHC20 Q5W0Z9 1/20 0.41
ZDHHC2 Q9UIJ5 1/20 0.41
AGTR1 P30556 1/20 0.41
AGTR2 P50052 1/20 0.41
CYP26A1 O43174 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
SCHEMBL5529653 1.00 TBXAS1 (0.47) TBXAS1TBXA2RCYP17A1GPR84FFAR1
SCHEMBL3137862 1.00 TBXAS1 (0.47) TBXAS1TBXA2RCYP17A1GPR84FFAR1
SCHEMBL5538884 1.00 TBXAS1 (0.47) TBXAS1TBXA2RCYP17A1GPR84FFAR1
SCHEMBL5531361 1.00 TBXAS1 (0.47) TBXAS1TBXA2RCYP17A1GPR84FFAR1
SCHEMBL5531518 1.00 TBXAS1 (0.47) TBXAS1TBXA2RCYP17A1GPR84FFAR1
SCHEMBL5537297 1.00 TBXAS1 (0.47) TBXAS1TBXA2RCYP17A1GPR84FFAR1
SCHEMBL5538578 1.00 TBXAS1 (0.47) TBXAS1TBXA2RCYP17A1GPR84FFAR1
SCHEMBL5533163 1.00 TBXAS1 (0.47) TBXAS1TBXA2RCYP17A1GPR84FFAR1
SCHEMBL729227 1.00 TBXAS1 (0.47) TBXAS1TBXA2RCYP17A1GPR84FFAR1
SCHEMBL5535737 1.00 TBXAS1 (0.47) TBXAS1TBXA2RCYP17A1GPR84FFAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070044831-A1 Electrolyte composition and dye-sensitized solar cell NATIONAL UNIVERSITY CORPORATION KYUSHU INSTITUTE OF TECHNOLOGY (JP) 2007-03-01 US disclosed