SCHEMBL7859971

SCHEMBL7859971

CCOC(=O)C(=O)CCNc1cccnc1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.46
MAPT P10636 3/20 0.46
NPC1 O15118 2/20 0.46
PKM P14618 1/20 0.46
LMNA P02545 2/20 0.45
POLB P06746 1/20 0.45
TSHR P16473 1/20 0.44
CTDSP1 Q9GZU7 1/20 0.44
ALDH1A1 P00352 2/20 0.43
NOTUM Q6P988 3/20 0.42
NAMPT P43490 1/20 0.42
TRPV1 Q8NER1 1/20 0.42

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
SCHEMBL7364359 0.86 TOP2A (0.51) RAB9AMAPTNPC1PKMLMNA
SCHEMBL2414088 0.77 NPC1 (0.59) RAB9AMAPTNPC1PKMLMNA
SCHEMBL7362493 0.77 RAB9A (0.50) RAB9AMAPTNPC1PKMLMNA
SCHEMBL3208241 0.76 NPC1 (0.53) RAB9ANPC1PKMLMNAALDH1A1
SCHEMBL30136183 0.75 RAB9A (0.45) RAB9AMAPTNPC1PKMLMNA
SCHEMBL13588769 0.74 RAB9A (0.46) RAB9ANPC1PKMLMNAPOLB
SCHEMBL7859968 0.74 NPC1 (0.47) RAB9AMAPTNPC1PKMLMNA
SCHEMBL10860795 0.74 MAPT (0.69) MAPTTSHR
SCHEMBL966665 0.74 NPC1 (0.59) RAB9AMAPTNPC1PKMLMNA
SCHEMBL30058651 0.74 NPC1 (0.59) RAB9AMAPTNPC1PKMLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0788362-B1 PHOSPONOCARBOXYLATE COMPOUNDS FOR TREATING ABNORMAL CALCIUM AND PHOSPHATE METABOLISM PROCTER & GAMBLE PHARMA (US) 2001-07-25 EP disclosed
CN-1048017-C Phosphonocarboxylate compounds and pharmaceutical compositions containing the same PROCTER & GAMBLE PHARMA (US) 2000-01-05 CN disclosed
CN-1230409-A Phosphonocarboxylate compounds and pharmaceutical compositions containing the same PROCTER & GAMBLE PHARMA (US) 1999-10-06 CN disclosed
CN-1224018-A Phosphonic carboxylate compounds, pharmaceutical compositions contg. same PROCTER & GAMBLE PHARMA (US) 1999-07-28 CN disclosed
US-5760021-A TREATING OR PREVENTING METABOLIC BONE DISORDERS THE PROCTER & GAMBLE COMPANY (US) 1998-06-02 US disclosed
EP-0788362-A1 PHOSPONOCARBOXYLATE COMPOUNDS FOR TREATING ABNORMAL CALCIUM AND PHOSPHATE METABOLISM PROCTER & GAMBLE PHARMACEUTICALS, INC. (US) 1997-08-13 EP disclosed
CN-1089613-A Phosphonocarboxylate compounds and pharmaceutical compositions containing the same PROCTER & GAMBLE PHARMA (US) 1994-07-20 CN disclosed
WO-1993024131-A1 PHOSPONOCARBOXYLATE COMPOUNDS FOR TREATING ABNORMAL CALCIUM AND PHOSPHATE METABOLISM PROCTER & GAMBLE PHARMACEUTICALS, INC. (US) 1993-12-09 WO disclosed