SCHEMBL8967900

SCHEMBL8967900

Cc1ncc(CO)c(COP(=O)(O)OCc2c(CO)cnc(C)c2O)c1O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.61
KDM4E B2RXH2 2/20 0.61
ALDH1A1 P00352 2/20 0.61
HSD17B10 Q99714 1/20 0.61
LMNA P02545 3/20 0.56
ESR1 P03372 1/20 0.50
PTGS1 P23219 1/20 0.50
ACP1 P24666 1/20 0.50
PDE4A P27815 1/20 0.50
P2RX1 P51575 1/20 0.50
P2RX2 Q9UBL9 1/20 0.50
PNPO Q9NVS9 1/20 0.49
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
AOX1 Q06278 1/20 0.48
TRIM24 O15164 1/20 0.47
TRIM33 Q9UPN9 1/20 0.47
PDXK O00764 1/20 0.44
GAA P10253 1/20 0.43
CA1 P00915 2/20 0.40

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
SCHEMBL1005970 0.94 HPGD (0.58) HPGDKDM4EALDH1A1HSD17B10LMNA
SCHEMBL140749 0.91 HPGD (0.61) HPGDKDM4EALDH1A1HSD17B10LMNA
SCHEMBL29040292 0.90 HPGD (0.59) HPGDKDM4EALDH1A1HSD17B10LMNA
SCHEMBL31536462 0.86 HPGD (0.55) HPGDKDM4EALDH1A1HSD17B10LMNA
SCHEMBL4612067 0.86 HPGD (0.58) HPGDKDM4EALDH1A1HSD17B10LMNA
SCHEMBL2133601 0.83 HPGD (0.55) HPGDKDM4EALDH1A1HSD17B10LMNA
Pyridoxine SCHEMBL43879 0.83 KDM4E (0.83) HPGDKDM4EALDH1A1HSD17B10LMNA
Pyridoxine SCHEMBL29004449 0.83 KDM4E (0.83) HPGDKDM4EALDH1A1HSD17B10LMNA
SCHEMBL22857703 0.82 HPGD (0.56) HPGDKDM4EALDH1A1HSD17B10LMNA
Pyridoxine SCHEMBL31241297 0.81 KDM4E (0.80) HPGDKDM4EALDH1A1HSD17B10LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4863716-A PARAMAGNETIC MATERIAL FOR INJECTION SALUTAR, INC. (US) 1989-09-05 US claimed
EP-0515638-B1 NOVEL PREORGANIZED HEXADENTATE LIGANDS USEFUL IN RADIOGRAPHIC IMAGING AGENTS MALLINCKRODT MEDICAL INC (US) 1996-03-06 EP disclosed
EP-0290047-B1 Dipyridoxyl phosphate nuclear magnetic resonance imagery contrast agents NYCOMED SALUTAR INC (US) 1995-02-01 EP disclosed
EP-0290041-B1 Radioactive metal chelates of dipyridoxyl phosphate NYCOMED SALUTAR INC (US) 1993-12-08 EP disclosed
US-5223243-A Dipyridoxyl phosphate chelating compound intermediates useful as NMRI contrast agents SALUTAR, INC. (US) 1993-06-29 US disclosed
EP-0543872-A1 NEW USE OF COMPLEX SALTS BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1993-06-02 EP disclosed
WO-1992003168-A1 NEW USE OF COMPLEX SALTS BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1992-03-05 WO disclosed
US-5091169-A Water soluble, stable chelates with paramagnetic metal ions SALUTAR, INC. (US) 1992-02-25 US disclosed
US-4992554-A Used as contrast agent in nuclear magnetic resonance imagery SALUTAR, INC. (US) 1991-02-12 US disclosed
US-4933456-A STABLE, SOLUBLE SALUTAR, INC. (US) 1990-06-12 US disclosed
US-4933456-A STABLE, SOLUBLE SALUTAR, INC. (US) 1990-06-12 US disclosed
US-4863716-A PARAMAGNETIC MATERIAL FOR INJECTION SALUTAR, INC. (US) 1989-09-05 US disclosed
US-4842845-A Radioactive metal chelates for dipyridoxyl phosphate SALUTAR, INC. (US) 1989-06-27 US disclosed
EP-0290041-A2 Radioactive metal chelates of dipyridoxyl phosphate NYCOMED SALUTAR, INC. (US) 1988-11-09 EP disclosed
EP-0290047-A2 Dipyridoxyl phosphate nuclear magnetic resonance imagery contrast agents NYCOMED SALUTAR, INC. (US) 1988-11-09 EP disclosed