SCHEMBL9709449

SCHEMBL9709449

CCOC(=O)CCC(CC=Cc1cccnc1)OCCCOCc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 9/20 0.41
NAMPT P43490 1/20 0.39
CHRNB2 P17787 1/20 0.37
CHRNA4 P43681 1/20 0.37
HRH2 P25021 1/20 0.36
HRH1 P35367 1/20 0.36
ALDH1A1 P00352 1/20 0.36
TBXA2R P21731 1/20 0.36
LMNA P02545 1/20 0.35
KMT2A Q03164 1/20 0.35
TDP1 Q9NUW8 1/20 0.35

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
SCHEMBL9709445 1.00 TBXAS1 (0.41) TBXAS1NAMPTCHRNB2CHRNA4HRH2
SCHEMBL9709543 0.81 TBXAS1 (0.41) TBXAS1ALDH1A1TBXA2RKMT2A
SCHEMBL9709667 0.73 LTA4H (0.43) TBXAS1CHRNB2CHRNA4ALDH1A1LMNA
SCHEMBL9709484 0.72 TBXAS1 (0.47) TBXAS1CHRNB2CHRNA4HRH2HRH1
SCHEMBL9709487 0.72 TBXAS1 (0.47) TBXAS1CHRNB2CHRNA4HRH2HRH1
SCHEMBL9709157 0.71 TEAD3 (0.40) ALDH1A1LMNA
SCHEMBL9709504 0.71 TBXAS1 (0.43) TBXAS1ALDH1A1TDP1
SCHEMBL2722347 0.70 ALOX5 (0.53) ALDH1A1TDP1
SCHEMBL14423635 0.70 TBXAS1 (0.70) TBXAS1CHRNB2CHRNA4ALDH1A1LMNA
SCHEMBL9212182 0.69 ALOX5 (0.52) TBXAS1ALDH1A1TDP1

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
EP-0493324-A1 Certain (arylsulfonamido- and pyridyl- or imidazolyl-)-substituted carboxylic acids and derivatives thereof CIBA-GEIGY AG (CH) 1992-07-01 EP disclosed