SCHEMBL14734760

SCHEMBL14734760

COc1ccc(-c2ccc3c(c2)CNC3=O)c(OC(=O)CCC2CCCC2)c1OC.COc1ccc(-c2cccc3c2CCC3=O)c(OCC(C)(C)C(=O)O)c1OC

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HPGD P15428 10/20 0.35
ALDH1A1 P00352 2/20 0.31
KDM4E B2RXH2 1/20 0.31
LMNA P02545 1/20 0.31
TDP1 Q9NUW8 1/20 0.30
FABP4 P15090 1/20 0.30
DGAT1 O75907 1/20 0.30

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
SCHEMBL14737469 0.83 HPGD (0.46) HPGDALDH1A1LMNATDP1
SCHEMBL14736800 0.81 HPGD (0.47) HPGDALDH1A1KDM4ELMNATDP1
SCHEMBL2591573 0.78 ALDH1A1 (0.51) HPGDALDH1A1KDM4E
SCHEMBL14737237 0.77 HPGD (0.44) HPGDALDH1A1KDM4ELMNATDP1
SCHEMBL2584293 0.76 GSK3B (0.38) ALDH1A1
SCHEMBL2591578 0.76 GSK3B (0.38) ALDH1A1
SCHEMBL17613857 0.76 GSK3B (0.40) HPGD
SCHEMBL2592192 0.75 GSK3B (0.38)
SCHEMBL2591668 0.74 GSK3B (0.36)
SCHEMBL14734743 0.74 GSK3B (0.36) HPGDLMNA

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-A1 BIARYL PHOSPHODIESTERASE INHIBITORS Leo Pharma A/S (DK) 2013-03-06 EP claimed