SCHEMBL8979552

SCHEMBL8979552

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

nearest known ligand 0.32

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ATAD2 Q6PL18 1/20 0.32
ALOX5 P09917 3/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC8 Q9BY41 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
CHRM2 P08172 1/20 0.31
CHRM4 P08173 1/20 0.31
CHRM5 P08912 1/20 0.31
CHRM1 P11229 1/20 0.31
DRD2 P14416 1/20 0.31
CHRM3 P20309 1/20 0.31
DRD4 P21917 1/20 0.31
DRD3 P35462 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
SCHEMBL8979610 0.90 ATAD2 (0.43) ATAD2ALOX5HDAC1HDAC8HDAC6
SCHEMBL8979601 0.75 CYP11B1 (0.33) ALOX5
SCHEMBL8979497 0.75 ALOX5 (0.36) ALOX5
SCHEMBL8557376 0.74 ALOX5 (0.32) ALOX5
SCHEMBL8979556 0.74 GAA (0.31) ALOX5
SCHEMBL8979508 0.74 ALOX5 (0.46) ALOX5
SCHEMBL8979490 0.73 ATAD2 (0.42) ATAD2DRD3
SCHEMBL8979542 0.71 TRPV1 (0.36) ALOX5
SCHEMBL8979523 0.71 CYP1A2 (0.34)
SCHEMBL5989847 0.69 ALOX5 (0.42) ALOX5

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