SCHEMBL14199562

SCHEMBL14199562

CP(=O)(O)C(C[n+]1cc(F)cc(-c2ccccc2)c1)P(=O)(O)O

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ GGPS1 O95749 10/20 0.51
▸ FDPS P14324 4/20 0.39
▸ MMP8 P22894 2/20 0.36
▸ MMP14 P50281 2/20 0.36
▸ MMP1 P03956 1/20 0.36
▸ MMP2 P08253 1/20 0.36
▸ MMP3 P08254 1/20 0.36
▸ MMP7 P09237 1/20 0.36
▸ MMP9 P14780 1/20 0.36
▸ MMP13 P45452 1/20 0.36
▸ ACP3 P15309 2/20 0.35
▸ CA2 P00918 1/20 0.33
▸ CA9 Q16790 1/20 0.33
▸ CA14 Q9ULX7 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
SCHEMBL12060623 0.92 GGPS1 (0.56) GGPS1FDPSMMP8MMP14MMP1
SCHEMBL14199561 0.85 GGPS1 (0.44) GGPS1FDPS
SCHEMBL14199553 0.81 GGPS1 (0.75) GGPS1FDPS
SCHEMBL14199570 0.77 GGPS1 (0.55) GGPS1FDPS
SCHEMBL12060618 0.75 GGPS1 (0.44) GGPS1FDPSMMP2CA9CA14
SCHEMBL12060532 0.75 GGPS1 (0.70) GGPS1FDPS
SCHEMBL14199575 0.74 GGPS1 (0.68) GGPS1FDPS
SCHEMBL14199574 0.74 GGPS1 (0.54) GGPS1FDPS
SCHEMBL12048206 0.73 GGPS1 (0.52) GGPS1FDPS
SCHEMBL12060543 0.72 GGPS1 (0.56) 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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