SCHEMBL8843555

SCHEMBL8843555

O=C(O)C(c1cccnc1)C(C(=O)O)P(=O)(O)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM8 O00222 1/20 0.48
GRM4 Q14833 1/20 0.48
KCNA5 P22460 5/20 0.46
KCNN4 O15554 3/20 0.46
SMN1; SMN2 Q16637 1/20 0.45
CFTR P13569 1/20 0.43
SLC6A2 P23975 1/20 0.43
SLC6A4 P31645 1/20 0.43
SLC6A3 Q01959 1/20 0.43
GOPC Q9HD26 1/20 0.43
FDPS P14324 4/20 0.43
TBXAS1 P24557 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
EPHX2 P34913 1/20 0.40
ALDH1A1 P00352 1/20 0.40
APP P05067 1/20 0.40
GAA P10253 1/20 0.40
HCAR3 P49019 1/20 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
SCHEMBL9116224 0.86 GRM8 (0.49) GRM8GRM4KCNA5KCNN4SMN1; SMN2
SCHEMBL8843523 0.80 GRM8 (0.43) GRM8GRM4SLC6A2SLC6A4SLC6A3
SCHEMBL12698775 0.77 SMN1; SMN2 (0.50) KCNA5SMN1; SMN2CFTRSLC6A2SLC6A4
SCHEMBL8461518 0.75 KCNA5 (0.47) GRM8GRM4KCNA5KCNN4SMN1; SMN2
SCHEMBL17047114 0.74 TBXAS1 (0.49) GRM8GRM4KCNA5SMN1; SMN2CFTR
SCHEMBL17546168 0.73 SMN1; SMN2 (0.50) KCNA5KCNN4SMN1; SMN2CFTRSLC6A2
SCHEMBL5666093 0.73 PGK1 (0.57) GRM8GRM4KCNA5KCNN4SMN1; SMN2
SCHEMBL5060253 0.73 GRM8 (0.46) GRM8GRM4KCNA5KCNN4SMN1; SMN2
SCHEMBL6505819 0.72 SMN1; SMN2 (0.58) GRM8GRM4KCNA5KCNN4SMN1; SMN2
SCHEMBL8843099 0.72 ACP3 (0.58) CYP2D6

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
US-5627170-A Phosphonic acid compound containing heterocyclic substituents, pharmaceutical composition contains same and a method of treating calcium metabolism disturbance BOEHRINGER MANNHEIM GMBH (DE) 1997-05-06 US disclosed
US-5538957-A OSTEOPOROSIS BOEHRINGER MANNHEIM GMBH (DE) 1996-07-23 US disclosed
CN-1088931-A New phosphonosuccinic acid derivatives and preparation method thereof and the pharmaceutical composition that contains these compounds BOEHRINGER MANNHEIM GMBH (DE) 1994-07-06 CN disclosed