SCHEMBL8979490

SCHEMBL8979490

CCN1C(=O)CCc2cc(S(=O)(=O)c3cccc(C4C(O)CCOC4C)c3)ccc21

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ATAD2 Q6PL18 1/20 0.42
ALDH1A1 P00352 1/20 0.40
GAA P10253 1/20 0.40
LMNA P02545 6/20 0.39
MAPT P10636 4/20 0.37
POLB P06746 3/20 0.37
TDP1 Q9NUW8 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP11B1 P15538 1/20 0.37
CYP11B2 P19099 1/20 0.37
DRD3 P35462 1/20 0.34
HRH3 Q9Y5N1 1/20 0.34
HTR6 P50406 1/20 0.33

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
SCHEMBL8979610 0.83 ATAD2 (0.43) ATAD2ALDH1A1GAALMNAMAPT
SCHEMBL8979548 0.78 TRIM24 (0.39) ALDH1A1GAACYP11B1CYP11B2
SCHEMBL8979491 0.78 TRIM24 (0.36) CYP11B1CYP11B2
SCHEMBL8979522 0.74 TRPV1 (0.36) CYP11B1CYP11B2HTR6
SCHEMBL8979552 0.73 ATAD2 (0.32) ATAD2DRD3
SCHEMBL8556514 0.73 ATAD2 (0.39) ATAD2ALDH1A1GAALMNAMAPT
SCHEMBL8979492 0.73 ATAD2 (0.39) ATAD2ALDH1A1GAALMNAMAPT
SCHEMBL8556509 0.67 ATAD2 (0.61) ATAD2ALDH1A1GAALMNAMAPT
SCHEMBL8979497 0.66 ALOX5 (0.36) CYP11B1CYP11B2
SCHEMBL9159708 0.64 DRD2 (0.42) DRD3

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-5512594-A ADMINISTERING TO TREAT A MEDICAL CONDITION MEDIATED BY ONE OR MORE LEUKOTRIENES ZENECA LIMITED (GB) 1996-04-30 US disclosed