SCHEMBL7862000

SCHEMBL7862000

O=CNC(CCC(O)(P(=O)(O)O)P(=O)(O)O)OCc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FDPS P14324 13/20 0.48
GGPS1 O95749 3/20 0.38
TSHR P16473 2/20 0.38
EPHX1 P07099 1/20 0.37
SLC1A3 P43003 2/20 0.36
SLC1A2 P43004 2/20 0.36
SLC1A1 P43005 2/20 0.36
MEN1 O00255 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL9194571 0.79 ALDH1A1 (0.38) FDPSTSHRMEN1KMT2A
SCHEMBL8727615 0.78 EPHX1 (0.45) TSHREPHX1SLC1A3SLC1A2SLC1A1
SCHEMBL5110183 0.76 EPHX1 (0.45) TSHREPHX1SLC1A3SLC1A2SLC1A1
SCHEMBL27721314 0.76 EPHX1 (0.45) TSHREPHX1SLC1A3SLC1A2SLC1A1
SCHEMBL10581083 0.74 HTT (0.46) EPHX1SLC1A3SLC1A2SLC1A1MEN1
SCHEMBL431115 0.73 KMT2A (0.46) TSHREPHX1SLC1A3SLC1A2SLC1A1
SCHEMBL3824259 0.72 EPHX1 (0.47) TSHREPHX1SLC1A3SLC1A2SLC1A1
SCHEMBL21383798 0.72 EPHX1 (0.47) TSHREPHX1SLC1A3SLC1A2SLC1A1
SCHEMBL6484234 0.70 FDPS (0.46) FDPSGGPS1TSHRSLC1A3SLC1A1
SCHEMBL10584194 0.70 NR4A1 (0.47) TSHREPHX1SLC1A3SLC1A2SLC1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1121366-A1 PRODRUGS OF PHOSPHOROUS-CONTAINING PHARMACEUTICALS MEDIVIR AB (SE) 2001-08-08 EP disclosed
WO-1999051613-A1 PRODRUGS OF PHOSPHOROUS-CONTAINING PHARMACEUTICALS MEDIVIR AB (SE) 1999-10-14 WO disclosed
EP-0416689-B1 Acyloxymethyl esters of bisphosphonic acids as bone resorption inhibitors MERCK & CO INC (US) 1995-11-29 EP disclosed
US-5227506-A Acyloxymethyl esters of bisphosphonic acids as bone resorption inhibitors MERCK & CO., INC. (US) 1993-07-13 US disclosed
EP-0416689-A2 Acyloxymethyl esters of bisphosphonic acids as bone resorption inhibitors MERCK & CO. INC. (US) 1991-03-13 EP disclosed