SCHEMBL9819447

SCHEMBL9819447

CCCCCCc1cc(NC(P(=O)(O)O)P(=O)(O)O)no1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 1/20 0.47
FDPS P14324 5/20 0.46
RAB9A P51151 3/20 0.39
HPGD P15428 1/20 0.39
ENPP2 Q13822 1/20 0.39
NPC1 O15118 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
SMPD1 P17405 1/20 0.38
FDFT1 P37268 1/20 0.38
S1PR2 O95136 4/20 0.37
S1PR1 P21453 4/20 0.37
S1PR3 Q99500 4/20 0.37
S1PR4 O95977 2/20 0.37
ALDH1A1 P00352 1/20 0.37
LPAR2 Q9HBW0 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
SCHEMBL9819276 1.00 PPARA (0.47) PPARAFDPSRAB9AHPGDENPP2
SCHEMBL9819397 1.00 PPARA (0.47) PPARAFDPSRAB9AHPGDENPP2
SCHEMBL9819305 0.99 FDPS (0.47) PPARAFDPSRAB9AHPGDENPP2
SCHEMBL9819288 0.94 FDPS (0.51) PPARAFDPSRAB9AHPGDNPC1
SCHEMBL9819343 0.89 RAB9A (0.49) FDPSRAB9AHPGDNPC1SMN1; SMN2
SCHEMBL9819252 0.83 FDPS (0.47) FDPSFDFT1
SCHEMBL9819301 0.81 FDPS (0.41) FDPSRAB9AHPGDFDFT1ALDH1A1
SCHEMBL9790653 0.75 TRPM8 (0.56) FDPSRAB9ANPC1SMN1; SMN2FDFT1
SCHEMBL20377217 0.74 FDPS (0.57) FDPSENPP2S1PR2S1PR1S1PR3
SCHEMBL20377224 0.74 FDPS (0.57) FDPSENPP2S1PR2S1PR1S1PR3

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