SCHEMBL14199554

SCHEMBL14199554

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

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ GGPS1 O95749 8/20 0.47
▸ LMNA P02545 2/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ HTT P42858 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ LAP3 P28838 4/20 0.38
▸ ANPEP P15144 2/20 0.38
▸ FDPS P14324 2/20 0.37
▸ ACP3 P15309 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 0.91 GGPS1 (0.51) GGPS1LMNAALDH1A1HTTSMN1; SMN2
SCHEMBL14199572 0.87 GGPS1 (0.53) GGPS1LAP3ANPEPFDPS
SCHEMBL12257840 0.84 GGPS1 (0.55) GGPS1SMN1; SMN2FDPS
SCHEMBL14199553 0.78 GGPS1 (0.75) GGPS1LMNAHTTSMN1; SMN2FDPS
SCHEMBL12060604 0.78 GGPS1 (0.58) GGPS1LMNALAP3ANPEPFDPS
SCHEMBL14228034 0.77 LMNA (0.43) GGPS1LMNAALDH1A1HTTSMN1; SMN2
SCHEMBL12257810 0.76 GGPS1 (0.58) GGPS1SMN1; SMN2FDPS
SCHEMBL12257842 0.75 GGPS1 (0.57) GGPS1SMN1; SMN2FDPS
SCHEMBL14199558 0.75 GGPS1 (0.42) GGPS1FDPSACP3
SCHEMBL14199559 0.72 GGPS1 (0.52) GGPS1FDPS

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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