SCHEMBL8979610

SCHEMBL8979610

CCN1C(=O)CCc2cc(Sc3cccc(C4C(O)CCOC4C)c3)ccc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATAD2 Q6PL18 1/20 0.43
CYP1A2 P05177 1/20 0.37
CYP11B1 P15538 1/20 0.37
CYP11B2 P19099 1/20 0.37
ALOX5 P09917 3/20 0.33
CHRM1 P11229 3/20 0.33
CHRM2 P08172 2/20 0.33
CHRM4 P08173 2/20 0.33
CHRM5 P08912 2/20 0.33
DRD2 P14416 2/20 0.33
CHRM3 P20309 2/20 0.33
DRD4 P21917 2/20 0.33
DRD3 P35462 2/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
LMNA P02545 1/20 0.32
MAPT P10636 2/20 0.31
POLB P06746 1/20 0.31
TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL8979552 0.90 ATAD2 (0.32) ATAD2ALOX5CHRM1CHRM2CHRM4
SCHEMBL8979490 0.83 ATAD2 (0.42) ATAD2CYP1A2CYP11B1CYP11B2DRD3
SCHEMBL8979601 0.78 CYP11B1 (0.33) CYP11B1CYP11B2ALOX5
SCHEMBL8979497 0.77 ALOX5 (0.36) CYP11B1CYP11B2ALOX5
SCHEMBL8979508 0.77 ALOX5 (0.46) CYP1A2CYP11B1CYP11B2ALOX5
SCHEMBL8979542 0.74 TRPV1 (0.36) CYP11B1CYP11B2ALOX5
SCHEMBL8979523 0.73 CYP1A2 (0.34) CYP1A2CYP11B1CYP11B2
SCHEMBL8979613 0.73 ATAD2 (0.40) ATAD2CYP1A2CYP11B1CYP11B2ALOX5
SCHEMBL2108821 0.73 ATAD2 (0.40) ATAD2CYP1A2CYP11B1CYP11B2ALOX5
SCHEMBL5989847 0.71 ALOX5 (0.42) CYP1A2CYP11B1CYP11B2ALOX5L3MBTL1

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