SCHEMBL5680865

SCHEMBL5680865

CCOOP(=O)(OOCC)C(CCN1CCN(c2cc3c(cn2)c(=O)c(C(=O)O)cn3C2CC2)CC1)P(=O)(OOCC)OOCC

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.47
▸ ALDH1A1 P00352 3/20 0.47
▸ LMNA P02545 2/20 0.47
▸ HPGD P15428 2/20 0.47
▸ HSD17B10 Q99714 2/20 0.47
▸ MAPT P10636 1/20 0.47
▸ PIK3CG P48736 1/20 0.41
▸ HRH3 Q9Y5N1 1/20 0.41
▸ CYP1A2 P05177 1/20 0.38
▸ TOP2A P11388 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ TOP2B Q02880 1/20 0.38
▸ CA1 P00915 1/20 0.37
▸ CA2 P00918 1/20 0.37

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
SCHEMBL5683277 0.87 KDM4E (0.48) KDM4EALDH1A1LMNAHPGDHSD17B10
SCHEMBL5681929 0.85 KDM4E (0.68) KDM4EALDH1A1LMNAHPGDHSD17B10
SCHEMBL8369267 0.82 KDM4E (0.38) KDM4EALDH1A1LMNAHPGDHSD17B10
SCHEMBL6664437 0.79 KDM4E (0.46) KDM4EALDH1A1LMNAHPGDHSD17B10
SCHEMBL5680002 0.78 KDM4E (0.53) KDM4EALDH1A1LMNAHPGDHSD17B10
SCHEMBL6665312 0.78 KDM4E (0.47) KDM4EALDH1A1LMNAHPGDHSD17B10
SCHEMBL5679660 0.78 KDM4E (0.71) KDM4EALDH1A1LMNAHPGDHSD17B10
SCHEMBL9066138 0.77 KDM4E (0.48) KDM4EALDH1A1LMNAHPGDHSD17B10
SCHEMBL9805938 0.73 KDM4E (0.50) KDM4EALDH1A1LMNAHPGDHSD17B10
SCHEMBL5679330 0.73 DRD3 (0.51) KDM4EALDH1A1LMNAHPGDHSD17B10

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0831869-B1 DIPHOSPHONATE DERIVATIVES OF THERAPEUTIC AGENTS ELIZANOR BIOPHARMACEUTICALS IN (US) 2006-02-08 — — EP disclosed
EP-0831869-A4 DIPHOSPHONATE DERIVATIVES OF THERAPEUTIC AGENTS ELIZANOR BIOPHARMACEUTICALS IN (US) 1999-04-21 — — EP disclosed
EP-0831869-A1 DIPHOSPHONATE DERIVATIVES OF THERAPEUTIC AGENTS Elizanor Biopharmaceuticals, Inc. (US) 1998-04-01 — — EP disclosed
WO-1996040190-A1 DIPHOSPHONATE DERIVATIVES OF THERAPEUTIC AGENTS ELIZANOR BIOPHARMACEUTICALS, INC. (US) 1996-12-19 — — WO disclosed
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