SCHEMBL5683495

SCHEMBL5683495

CCOOP(=O)(OOCC)C(CCn1cc(C(=O)OCC)c(=O)c2cc(F)ccc21)P(=O)(OOCC)OOCC

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.49
▸ KMT2A Q03164 2/20 0.47
▸ THRB P10828 3/20 0.43
▸ MAPT P10636 3/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ HPGD P15428 3/20 0.41
▸ POLB P06746 2/20 0.41
▸ ALDH1A1 P00352 3/20 0.41
▸ KDM4E B2RXH2 2/20 0.41
▸ HSD17B10 Q99714 2/20 0.41
▸ HTR3A P46098 2/20 0.38
▸ TSHR P16473 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ CNR2 P34972 2/20 0.38
▸ CNR1 P21554 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
SCHEMBL5683505 0.91 LMNA (0.51) LMNAKMT2ATHRBMAPTMEN1
SCHEMBL5681631 0.81 KDM4E (0.58) LMNAKMT2AMEN1HPGDALDH1A1
SCHEMBL10341159 0.76 LMNA (0.55) LMNAKMT2ATHRBMAPTMEN1
SCHEMBL7057720 0.73 THRB (0.59) LMNAKMT2ATHRBMAPTMEN1
SCHEMBL3296359 0.71 LMNA (0.52) LMNAKMT2ATHRBMAPTMEN1
SCHEMBL10086154 0.71 LMNA (0.60) LMNAKMT2ATHRBMAPTMEN1
SCHEMBL29766728 0.70 LMNA (0.50) LMNAKMT2ATHRBMAPTMEN1
SCHEMBL6050608 0.70 KMT2A (0.49) LMNAKMT2AMEN1HPGDALDH1A1
SCHEMBL4141591 0.69 LMNA (0.61) LMNAKMT2ATHRBMAPTMEN1
SCHEMBL1431209 0.69 LMNA (0.57) LMNAKMT2ATHRBMAPTMEN1

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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