SCHEMBL8843686

SCHEMBL8843686

O=C(O)C(Cn1ccnc1)C(C(=O)O)P(=O)(O)O

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FDPS P14324 4/20 0.59
GGPS1 O95749 3/20 0.45
BTN3A1 O00481 1/20 0.45
CA12 O43570 1/20 0.45
CA2 P00918 1/20 0.45
LMNA P02545 1/20 0.45
MMP2 P08253 1/20 0.45
MMP9 P14780 1/20 0.45
MMP8 P22894 1/20 0.45
MMP14 P50281 1/20 0.45
CA9 Q16790 1/20 0.45
CA14 Q9ULX7 1/20 0.45
ALDH1A1 P00352 1/20 0.45
EGLN3 Q9H6Z9 1/20 0.42
TBXAS1 P24557 9/20 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
SCHEMBL8843300 0.86 FDPS (0.51) FDPSGGPS1BTN3A1CA12CA2
SCHEMBL9114540 0.86 FDPS (0.61) FDPSGGPS1BTN3A1CA12CA2
SCHEMBL8843708 0.85 TBXAS1 (0.50) FDPSGGPS1BTN3A1CA12CA2
SCHEMBL8843691 0.82 TBXAS1 (0.60) FDPSTBXAS1
SCHEMBL8848903 0.81 TBXAS1 (0.63) TBXAS1
SCHEMBL8843380 0.81 TBXAS1 (0.63) TBXAS1
SCHEMBL515542 0.75 FDPS (1.00) FDPSGGPS1BTN3A1CA12CA2
SCHEMBL6790628 0.75 ALDH1A1 (0.59) FDPSALDH1A1EGLN3TBXAS1
SCHEMBL3659339 0.74 FDPS (0.71) FDPSGGPS1BTN3A1CA12CA2
Water SCHEMBL28274320 0.74 FDPS (0.96) FDPSGGPS1BTN3A1CA12CA2

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
CN-1043423-C New phosphonosuccinic acid derivatives processes for the preparation thereof and pharmaceutical compositions containing these compounds BOEHRINGER MANNHEIM GMBH (DE) 1999-05-19 CN disclosed
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