SCHEMBL9819301

SCHEMBL9819301

CC(C)CCc1cc(NC(P(=O)(O)O)P(=O)(O)O)no1

nearest known ligand 0.41

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
FDPS P14324 15/20 0.41
HPGD P15428 1/20 0.41
RAB9A P51151 1/20 0.41
FDFT1 P37268 2/20 0.39
ALDH1A1 P00352 1/20 0.36

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
SCHEMBL9819343 0.85 RAB9A (0.49) FDPSHPGDRAB9AFDFT1ALDH1A1
SCHEMBL9819288 0.83 FDPS (0.51) FDPSHPGDRAB9AFDFT1ALDH1A1
SCHEMBL9819252 0.82 FDPS (0.47) FDPSFDFT1
SCHEMBL9819305 0.82 FDPS (0.47) FDPSHPGDRAB9AFDFT1ALDH1A1
SCHEMBL9819447 0.81 PPARA (0.47) FDPSHPGDRAB9AFDFT1ALDH1A1
SCHEMBL9819397 0.81 PPARA (0.47) FDPSHPGDRAB9AFDFT1ALDH1A1
SCHEMBL9819303 0.76 FDPS (0.51) FDPSRAB9AALDH1A1
SCHEMBL11401437 0.75 FDPS (0.47) FDPSRAB9AFDFT1ALDH1A1
SCHEMBL9790653 0.73 TRPM8 (0.56) FDPSRAB9AFDFT1ALDH1A1
SCHEMBL19772267 0.70 RAB9A (0.40) HPGDRAB9AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0282320-B1 BISPHOSPHONIC ACID DERIVATIVES AND MEDICINES CONTAINING THE SAME YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 1991-12-11 EP disclosed
EP-0282320-A1 Bisphosphonic acid derivatives and medicines containing the same YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 1988-09-14 EP disclosed