SCHEMBL17599643

SCHEMBL17599643

COCC1(COc2c(OC)ccc(-c3cccc4c3CCC4=O)c2OC)COC1.COc1ccc(-c2cccc3c2CCC3=O)c(OC)c1OCc1ccc(S(N)(=O)=O)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
LMNA P02545 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
CA2 P00918 8/20 0.32
CA1 P00915 7/20 0.32
CA4 P22748 6/20 0.32
CA7 P43166 6/20 0.32
CA9 Q16790 4/20 0.32
ALOX5AP P20292 1/20 0.32
FEN1 P39748 1/20 0.32
CA12 O43570 5/20 0.32
CA5A P35218 4/20 0.32
CA5B Q9Y2D0 4/20 0.32
PPARG P37231 3/20 0.32
PPARD Q03181 3/20 0.32
PPARA Q07869 2/20 0.32
MAOB P27338 2/20 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
SCHEMBL2584463 0.89 KDM4E (0.48) KDM4EALDH1A1HPGDLMNASMN1; SMN2
SCHEMBL2592780 0.87 KDM4E (0.50) KDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL2591462 0.85 KDM4E (0.48) KDM4EALDH1A1HPGDLMNASMN1; SMN2
SCHEMBL2592881 0.84 ALDH1A1 (0.50) KDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL2592309 0.81 KDM4E (0.49) KDM4EALDH1A1HPGDSMN1; SMN2ALOX5AP
SCHEMBL7713098 0.79 ALDH1A1 (0.49) KDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL2584646 0.79 KDM4E (0.41) KDM4EALDH1A1HPGDLMNASMN1; SMN2
SCHEMBL2587525 0.79 ALDH1A1 (0.46) KDM4EALDH1A1HPGDSMN1; SMN2MAOB
SCHEMBL2593543 0.78 ALDH1A1 (0.50) KDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL2590142 0.78 KDM4E (0.41) KDM4EALDH1A1HPGD

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-2563770-B1 BIARYL PHOSPHODIESTERASE INHIBITORS LEO PHARMA AS (DK) 2016-03-23 EP claimed