SCHEMBL9435895

SCHEMBL9435895

NCC1CCCCC1CC(O)(P(=O)(O)O)P(=O)(O)O

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FDPS P14324 9/20 0.49
PDE3A Q14432 2/20 0.41
LMNA P02545 1/20 0.41
ADRB3 P13945 1/20 0.41
PDE4D Q08499 1/20 0.41
GRIN2D O15399 5/20 0.34
GRIN3B O60391 5/20 0.34
GRIN1 Q05586 5/20 0.34
GRIN2A Q12879 5/20 0.34
GRIN2B Q13224 5/20 0.34
GRIN2C Q14957 5/20 0.34
GRIN3A Q8TCU5 5/20 0.34
GGPS1 O95749 1/20 0.33
METAP1 P53582 1/20 0.33

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
SCHEMBL10341443 0.85 FDPS (0.49) FDPSPDE3ALMNAADRB3PDE4D
SCHEMBL9240376 0.80 FDPS (0.44) FDPSPDE3AGRIN2DGRIN3BGRIN1
SCHEMBL9239082 0.79 FDPS (0.42) FDPSPDE3ALMNAADRB3PDE4D
SCHEMBL9241339 0.78 FDPS (0.49) FDPSPDE3ALMNAADRB3PDE4D
SCHEMBL9166642 0.76 FDPS (0.41) FDPSPDE3AGGPS1
SCHEMBL19193755 0.76 FDPS (0.58) FDPSPDE3ALMNAADRB3PDE4D
SCHEMBL9244507 0.74 FDPS (0.45) FDPSPDE3ALMNAADRB3PDE4D
SCHEMBL10341434 0.74 GRIN2D (0.34) FDPSPDE3ALMNAADRB3PDE4D
SCHEMBL20573016 0.74 FDPS (0.45) FDPSPDE3ALMNAADRB3PDE4D
SCHEMBL19193859 0.74 FDPS (0.56) FDPSPDE3ALMNAADRB3PDE4D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4719203-A CALCIUM METABOLISM DISORDERS BOEHRINGER MANNHEIM GMBH (DE) 1988-01-12 US claimed
EP-0586521-A1 CALCIUM, TRACE MINERAL, VITAMIN D AND DRUG THERAPY COMBINATIONS THE PROCTER & GAMBLE COMPANY (US) 1994-03-16 EP disclosed
WO-1992021355-A1 CALCIUM, TRACE MINERAL, VITAMIN D AND DRUG THERAPY COMBINATIONS THE PROCTER & GAMBLE COMPANY (US) 1992-12-10 WO disclosed
EP-0351897-A2 Skin penetration system for salts of amine-functional drugs THE PROCTER & GAMBLE COMPANY (US) 1990-01-24 EP disclosed
EP-0224751-B1 DIPHOSPHONIC-ACID DERIVATIVES, PROCESS FOR PREPARING THEM AND MEDICINES CONTAINING THESE COMPOUNDS Roche Diagnostics GmbH (DE) 1990-01-24 EP disclosed
US-4719203-A CALCIUM METABOLISM DISORDERS BOEHRINGER MANNHEIM GMBH (DE) 1988-01-12 US disclosed
EP-0224751-A1 Diphosphonic-acid derivatives, process for preparing them and medicines containing these compounds Roche Diagnostics GmbH (DE) 1987-06-10 EP disclosed