SCHEMBL8369267

SCHEMBL8369267

CCOOP(=O)(OOCC)C(C(=O)c1cn(C2CC2)c2cc(N3CCN(C)CC3)ncc2c1=O)P(=O)(OOCC)OOCC

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 4/20 0.38
▸ ALDH1A1 P00352 4/20 0.38
▸ HPGD P15428 3/20 0.38
▸ LMNA P02545 2/20 0.38
▸ HSD17B10 Q99714 2/20 0.38
▸ MAPT P10636 1/20 0.38
▸ PIK3CG P48736 2/20 0.37
▸ CSF1R P07333 3/20 0.35
▸ CYP1A2 P05177 1/20 0.33
▸ TOP2A P11388 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ TOP2B Q02880 1/20 0.33
▸ HRH3 Q9Y5N1 1/20 0.32
▸ GAA P10253 1/20 0.32
▸ RAD52 P43351 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ WNT1 P04628 1/20 0.32
▸ CLK2 P49760 1/20 0.32
▸ CLK3 P49761 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
SCHEMBL5681364 0.86 KDM4E (0.39) KDM4EALDH1A1HPGDLMNAHSD17B10
SCHEMBL5681111 0.84 ALDH1A1 (0.41) KDM4EALDH1A1HPGDLMNAHSD17B10
SCHEMBL5680865 0.82 KDM4E (0.47) KDM4EALDH1A1HPGDLMNAHSD17B10
SCHEMBL5680002 0.79 KDM4E (0.53) KDM4EALDH1A1HPGDLMNAHSD17B10
SCHEMBL11275888 0.74 PIK3CG (0.41) KDM4EALDH1A1HPGDLMNAHSD17B10
SCHEMBL5683277 0.71 KDM4E (0.48) KDM4EALDH1A1HPGDLMNAHSD17B10
SCHEMBL6664437 0.70 KDM4E (0.46) KDM4EALDH1A1HPGDLMNAHSD17B10
SCHEMBL6665312 0.68 KDM4E (0.47) KDM4EALDH1A1HPGDLMNAHSD17B10
SCHEMBL9805938 0.68 KDM4E (0.50) KDM4EALDH1A1HPGDLMNAHSD17B10
SCHEMBL5681929 0.67 KDM4E (0.68) KDM4EALDH1A1HPGDLMNAHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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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