SCHEMBL9500738

SCHEMBL9500738

O=P(O)(O)C(O)(CCNCCc1ccccc1)P(=O)(O)O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FDPS P14324 13/20 1.00
CA12 O43570 1/20 0.53
CA1 P00915 1/20 0.53
CA2 P00918 1/20 0.53
MMP1 P03956 1/20 0.53
MMP2 P08253 1/20 0.53
MMP3 P08254 1/20 0.53
CA9 Q16790 1/20 0.53
GGPS1 O95749 1/20 0.52
ANPEP P15144 1/20 0.51
ERAP2 Q6P179 1/20 0.51
DRD2 P14416 2/20 0.49
DRD4 P21917 2/20 0.49
OPRM1 P35372 2/20 0.49
DRD3 P35462 2/20 0.49
SIGMAR1 Q99720 2/20 0.49
S1PR2 O95136 1/20 0.48
S1PR4 O95977 1/20 0.48
S1PR1 P21453 1/20 0.48
S1PR3 Q99500 1/20 0.48

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
SCHEMBL10590162 0.91 FDPS (0.83) FDPSCA12CA1CA2MMP1
SCHEMBL9499871 0.91 FDPS (1.00) FDPSGGPS1SIGMAR1S1PR2S1PR4
SCHEMBL9394777 0.89 FDPS (1.00) FDPSGGPS1SIGMAR1S1PR2S1PR4
SCHEMBL9499493 0.81 FDPS (0.82) FDPSGGPS1SIGMAR1S1PR2S1PR4
SCHEMBL12821711 0.78 FDPS (0.72) FDPSGGPS1
SCHEMBL12822039 0.77 FDPS (0.70) FDPSGGPS1S1PR2S1PR4S1PR1
SCHEMBL4478781 0.76 FDPS (0.61) FDPSDRD2DRD4OPRM1DRD3
SCHEMBL9151249 0.76 FDPS (1.00) FDPSDRD2DRD4DRD3
SCHEMBL9499526 0.75 FDPS (0.71) FDPS
SCHEMBL283735 0.74 SIGMAR1 (0.81) CA12CA1CA2SIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5110807-A Calcium metabolism disorders CIBA-GEIGY CORPORATION (US) 1992-05-05 US claimed
EP-0320455-A1 Araliphatyl aminoalcane diphosphonic acids CIBA-GEIGY AG (CH) 1989-06-14 EP claimed
EP-0320455-B1 ARALIPHATYL AMINOALCANE DIPHOSPHONIC ACIDS CIBA-GEIGY AG (CH) 1993-06-09 EP disclosed
US-5190930-A Calcium metabolism disorder CIBA-GEIGY CORPORATION (US) 1993-03-02 US disclosed
US-5110807-A Calcium metabolism disorders CIBA-GEIGY CORPORATION (US) 1992-05-05 US disclosed
EP-0320455-A1 Araliphatyl aminoalcane diphosphonic acids CIBA-GEIGY AG (CH) 1989-06-14 EP disclosed