SCHEMBL17599573

SCHEMBL17599573

COc1ccc(-c2cccc3c2CCC3=O)c(OCC2CC2)c1OC

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.56
ALDH1A1 P00352 2/20 0.56
HPGD P15428 2/20 0.56
PDE4D Q08499 2/20 0.43
HDAC4 P56524 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
MEN1 O00255 1/20 0.39
USP2 O75604 1/20 0.39
S100A4 P26447 1/20 0.39
KMT2A Q03164 1/20 0.39
TUBB4A P04350 1/20 0.39
TUBB P07437 1/20 0.39
TUBA3C P0DPH7 1/20 0.39
TUBA1B P68363 1/20 0.39
TUBA4A P68366 1/20 0.39
TUBB4B P68371 1/20 0.39
TUBB3 Q13509 1/20 0.39
TUBB2A Q13885 1/20 0.39
TUBB8 Q3ZCM7 1/20 0.39

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
SCHEMBL2589617 0.95 KDM4E (0.53) KDM4EALDH1A1HPGDPDE4DHDAC4
SCHEMBL7712341 0.95 KDM4E (0.56) KDM4EALDH1A1HPGDPDE4DHDAC4
SCHEMBL2584849 0.92 ALDH1A1 (0.49) KDM4EALDH1A1HPGDPDE4DMEN1
SCHEMBL2594350 0.91 KDM4E (0.48) KDM4EALDH1A1HPGDPDE4DMEN1
SCHEMBL2591692 0.90 KDM4E (0.47) KDM4EALDH1A1HPGDPDE4DMEN1
SCHEMBL2584958 0.89 KDM4E (0.46) KDM4EALDH1A1HPGDPDE4DMEN1
SCHEMBL2588925 0.89 KDM4E (0.50) KDM4EALDH1A1HPGDPDE4DHDAC4
SCHEMBL14736996 0.88 ALDH1A1 (0.47) KDM4EALDH1A1HPGDPDE4DHDAC4
SCHEMBL2591894 0.85 KDM4E (0.42) KDM4EALDH1A1HPGDPDE4DMEN1
SCHEMBL2589425 0.84 ALDH1A1 (0.59) KDM4EALDH1A1HPGDPDE4DHDAC4

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 disclosed