SCHEMBL8167482

SCHEMBL8167482

CC(C)OP(=O)(O)C(Cc1cccnc1)P(=O)(O)O

nearest known ligand 0.71

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FDPS P14324 8/20 0.71
BTN3A1 O00481 1/20 0.43
PDE3A Q14432 1/20 0.43
POLB P06746 1/20 0.43
HPGD P15428 1/20 0.43
TBXAS1 P24557 2/20 0.42
PKM P14618 1/20 0.40
KMT2A Q03164 1/20 0.40
LMNA P02545 1/20 0.40
CHRM1 P11229 1/20 0.39
NAPRT Q6XQN6 1/20 0.39
KDM4E B2RXH2 1/20 0.39

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
SCHEMBL8166214 0.94 FDPS (0.66) FDPSBTN3A1PDE3APOLBHPGD
SCHEMBL8171503 0.91 FDPS (0.61) FDPSBTN3A1PDE3APOLBHPGD
SCHEMBL8167459 0.86 FDPS (0.75) FDPSBTN3A1PDE3ATBXAS1PKM
Hydrochloric Acid SCHEMBL9174019 0.85 FDPS (0.73) FDPSBTN3A1PDE3ATBXAS1PKM
SCHEMBL2459769 0.84 FDPS (1.00) FDPSBTN3A1PDE3ATBXAS1PKM
SCHEMBL31061112 0.84 FDPS (1.00) FDPSBTN3A1PDE3ATBXAS1PKM
SCHEMBL8167994 0.83 FDPS (0.60) FDPSPOLBHPGDTBXAS1
SCHEMBL9621950 0.83 LAP3 (0.50) FDPSPOLBKMT2AKDM4E
SCHEMBL10001487 0.81 FDPS (0.82) FDPSBTN3A1PDE3ATBXAS1PKM
Hydrochloric Acid SCHEMBL9169735 0.78 FDPS (0.66) FDPSBTN3A1PDE3ATBXAS1NAPRT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0563107-B1 NOVEL METHYLENEBISPHOSPHONIC ACID DERIVATIVES LEIRAS OY (FI) 2000-05-03 EP disclosed
US-5393748-A Treating bone disorders, Paget* s disease, calcium metabolism disorders LEIRAS OY (FI) 1995-02-28 US disclosed
EP-0563107-A1 NOVEL METHYLENEBISPHOSPHONIC ACID DERIVATIVES LEIRAS OY (FI) 1993-10-06 EP disclosed
WO-1992011269-A1 NOVEL METHYLENEBISPHOSPHONIC ACID DERIVATIVES LEIRAS OY (FI) 1992-07-09 WO disclosed