SCHEMBL14199575

SCHEMBL14199575

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

nearest known ligand 0.68

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ GGPS1 O95749 12/20 0.68
▸ LMNA P02545 3/20 0.44
▸ FDPS P14324 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ CHRNA7 P36544 4/20 0.38
▸ CHRNA10 Q9GZZ6 4/20 0.38
▸ CHRNA9 Q9UGM1 4/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38

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
SCHEMBL12060532 0.95 GGPS1 (0.70) GGPS1LMNAFDPSHTTRAB9A
SCHEMBL14199553 0.93 GGPS1 (0.75) GGPS1LMNAFDPSHTTRAB9A
SCHEMBL12060601 0.86 GGPS1 (0.83) GGPS1LMNAFDPS
SCHEMBL14199574 0.77 GGPS1 (0.54) GGPS1FDPS
SCHEMBL14199576 0.77 GGPS1 (0.68) GGPS1FDPS
SCHEMBL14199572 0.76 GGPS1 (0.53) GGPS1FDPS
SCHEMBL14199567 0.76 GGPS1 (0.61) GGPS1FDPS
SCHEMBL14199578 0.76 GGPS1 (0.53) GGPS1FDPS
SCHEMBL14199559 0.75 GGPS1 (0.52) GGPS1FDPS
SCHEMBL14199562 0.74 GGPS1 (0.51) 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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