SCHEMBL6668787

SCHEMBL6668787

O=C(O)CCCCC(O)(P(=O)(O)O)P(=O)(O)O

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FDPS P14324 15/20 0.57
GGPS1 O95749 6/20 0.57
PDE3A Q14432 2/20 0.54
LMNA P02545 3/20 0.48
ADRB3 P13945 1/20 0.46
PDE4D Q08499 1/20 0.46
TSHR P16473 1/20 0.46
NFKB1 P19838 1/20 0.46
PMP22 Q01453 1/20 0.46
SLC22A6 Q4U2R8 1/20 0.42
GPR84 Q9NQS5 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
Neridronic Acid SCHEMBL10764519 0.89 FDPS (0.76) FDPSGGPS1PDE3ALMNAADRB3
SCHEMBL19043007 0.84 FDPS (0.52) FDPSGGPS1PDE3ALMNAADRB3
SCHEMBL15452862 0.83 FDPS (0.76) FDPSGGPS1PDE3ALMNAADRB3
SCHEMBL9313278 0.81 FDPS (0.77) FDPSGGPS1PDE3ALMNAADRB3
SCHEMBL11323262 0.80 LMNA (0.50) PDE3ALMNATSHRNFKB1PMP22
SCHEMBL10360953 0.79 LMNA (0.44) FDPSGGPS1PDE3ALMNATSHR
SCHEMBL9313105 0.79 FDPS (0.74) FDPSGGPS1PDE3ALMNAADRB3
SCHEMBL10360946 0.78 TSHR (0.46) FDPSGGPS1PDE3ALMNATSHR
SCHEMBL28040704 0.77 LMNA (0.46) PDE3ALMNATSHRNFKB1PMP22
Adipic Acid SCHEMBL4637028 0.75 LMNA (0.73) PDE3ALMNATSHRNFKB1PMP22

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
EP-0831845-B1 DIPHOSPHONATE DERIVATIVES OF THERAPEUTIC AGENTS ELIZANOR BIOPHARMACEUTICALS IN (US) 2004-09-08 EP disclosed
US-5854227-A Therapeutic derivatives of diphosphonates ELIZANOR BIOPHARMACUETICALS, INC. 1998-12-29 US disclosed
WO-1996040156-A1 DIPHOSPHONATE DERIVATIVES OF THERAPEUTIC AGENTS ELIZANOR BIOPHARMACEUTICALS, INC. (US) 1996-12-19 WO disclosed