SCHEMBL8979492

SCHEMBL8979492

CCN1C(=O)CCc2cc(S(=O)(=O)c3cccc(C4(C)CC(O)CCO4)c3)ccc21

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ATAD2 Q6PL18 1/20 0.39
ALDH1A1 P00352 1/20 0.38
GAA P10253 1/20 0.38
LMNA P02545 5/20 0.37
MAPT P10636 4/20 0.36
POLB P06746 3/20 0.36
TDP1 Q9NUW8 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 1/20 0.36
HTR6 P50406 4/20 0.34

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
SCHEMBL8979613 0.83 ATAD2 (0.40) ATAD2LMNAMAPTPOLBTDP1
SCHEMBL8979495 0.78 TRIM24 (0.35) CYP11B1CYP11B2
SCHEMBL8979554 0.78 TRIM24 (0.38) ALDH1A1GAACYP11B1CYP11B2HTR6
SCHEMBL8556514 0.78 ATAD2 (0.39) ATAD2ALDH1A1GAALMNAMAPT
SCHEMBL8979550 0.75 TRIM24 (0.35) ALDH1A1GAALMNACYP1A2CYP11B1
SCHEMBL8979526 0.75 CYP11B1 (0.32) CYP11B1CYP11B2
SCHEMBL8979556 0.74 GAA (0.31) GAAPOLB
SCHEMBL8979490 0.73 ATAD2 (0.42) ATAD2ALDH1A1GAALMNAMAPT
SCHEMBL8979499 0.67 ALOX5 (0.38) CYP11B1CYP11B2
SCHEMBL8556509 0.67 ATAD2 (0.61) ATAD2ALDH1A1GAALMNAMAPT

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