SCHEMBL14228034

SCHEMBL14228034

O=P(O)(O)C(C[n+]1ccc(Cc2ccccc2)cc1)P(O)O

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.43
▸ ANPEP P15144 6/20 0.41
▸ LAP3 P28838 5/20 0.41
▸ FDPS P14324 1/20 0.40
▸ ERAP1 Q9NZ08 2/20 0.40
▸ ERAP2 Q6P179 2/20 0.40
▸ ALDH1A1 P00352 2/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ HTT P42858 1/20 0.39
▸ GGPS1 O95749 2/20 0.38
▸ ACP3 P15309 2/20 0.37
▸ S1PR2 O95136 1/20 0.37
▸ S1PR4 O95977 1/20 0.37
▸ S1PR1 P21453 1/20 0.37
▸ S1PR3 Q99500 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ KMT2A Q03164 1/20 0.37

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
SCHEMBL12060607 0.81 GGPS1 (0.51) LMNAANPEPLAP3FDPSERAP1
SCHEMBL14199554 0.77 GGPS1 (0.47) LMNAANPEPLAP3FDPSALDH1A1
Diphenylmethane SCHEMBL28898534 0.69 CALM1 (0.67) LMNAANPEPLAP3FDPSERAP1
SCHEMBL12060604 0.69 GGPS1 (0.58) LMNAANPEPLAP3FDPSGGPS1
SCHEMBL12060363 0.68 FDPS (0.54) LMNAFDPSALDH1A1SMN1; SMN2HTT
SCHEMBL12048155 0.67 FDPS (0.49) LMNAFDPSALDH1A1SMN1; SMN2HTT
SCHEMBL14199572 0.65 GGPS1 (0.53) ANPEPLAP3FDPSGGPS1
SCHEMBL13851328 0.65 ALDH1A1 (0.53) LMNAALDH1A1SMN1; SMN2HTTKDM4E
Bromide SCHEMBL3361424 0.64 ALDH1A1 (0.51) LMNAALDH1A1SMN1; SMN2HTTKDM4E
SCHEMBL13934017 0.64 CALM1 (0.57) LMNAALDH1A1SMN1; SMN2HTTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7358361-B2 Biophosphonate compounds and methods for bone resorption diseases, cancer, bone pain, immune disorders, and infectious diseases THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2008-04-15 — — US disclosed
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