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SCHEMBL2595893

SCHEMBL2595893

COc1ccc(-c2cccc3c2CCC3=O)c(OCC(C)(C)C(=O)OC2CCCCC2)c1OC.COc1ccc(-c2cccc3c2CCC3=O)c(OCC2(C(=O)OC3CCCCC3)CCC2)c1OC.COc1ccc(-c2cccc3c2CCC3=O)c(OCC2(C(=O)OCC(C)(C)C)CCC2)c1OC

nearest known ligand 0.34

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ TP53 P04637 1/20 0.32

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
SCHEMBL2588488 0.99 KDM4E (0.35) KDM4EALDH1A1HPGDTP53
SCHEMBL2586132 0.91 KDM4E (0.37) KDM4EALDH1A1HPGDTP53
SCHEMBL14737110 0.89 ALDH1A1 (0.42) KDM4EALDH1A1HPGD
SCHEMBL14737092 0.88 KDM4E (0.43) KDM4EALDH1A1HPGDTP53
SCHEMBL2581888 0.88 KDM4E (0.43) KDM4EALDH1A1HPGDTP53
SCHEMBL2584453 0.88 KDM4E (0.43) KDM4EALDH1A1HPGDTP53
SCHEMBL14738034 0.87 KDM4E (0.43) KDM4EALDH1A1HPGDTP53
SCHEMBL14736576 0.87 KDM4E (0.45) KDM4EALDH1A1HPGDTP53
SCHEMBL14736937 0.87 KDM4E (0.45) KDM4EALDH1A1HPGDTP53
SCHEMBL2592999 0.87 KDM4E (0.45) KDM4EALDH1A1HPGDTP53

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 2 patents. 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
WO-2011134468-A1 BIARYL PHOSPHODIESTERASE INHIBITORS LEO PHARMA A/S (DK) 2011-11-03 — — WO claimed