SCHEMBL2598121

SCHEMBL2598121

O=P(O)(O)C(CCCCSc1ccc(F)cc1)P(=O)(O)O

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FDPS P14324 5/20 0.42
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
HTT P42858 1/20 0.38
CA12 O43570 1/20 0.38
MMP2 P08253 1/20 0.38
S1PR1 P21453 1/20 0.38
CA2 P00918 1/20 0.36
HTR1A P08908 1/20 0.36
DRD2 P14416 1/20 0.36
HTR2A P28223 1/20 0.36
HTR7 P34969 1/20 0.36
DRD3 P35462 1/20 0.36
HTR2B P41595 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
SCHEMBL10484334 0.83 HDAC3 (0.52) FDPSALDH1A1LMNAMMP2
SCHEMBL10484141 0.79 MTNR1A (0.47) FDPSALDH1A1LMNAMMP2
SCHEMBL15013797 0.78 HTR1A (0.47) ALDH1A1LMNAHTTHTR1ADRD2
SCHEMBL2455508 0.78 ALDH1A1 (0.53) FDPSALDH1A1
SCHEMBL10484023 0.78 MAPT (0.45) FDPSALDH1A1CA12MMP2CA2
SCHEMBL10483987 0.76 FDPS (0.40) FDPSHTT
SCHEMBL2456282 0.75 FDPS (0.55) FDPS
SCHEMBL23521586 0.73 CA12 (0.41) ALDH1A1LMNAHTTCA12MMP2
SCHEMBL4994160 0.71 ALDH1A1 (0.62) ALDH1A1LMNAHTT
SCHEMBL5252015 0.71 CA2 (0.55) ALDH1A1LMNAHTTCA12CA2

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
WO-2011146819-A2 METHODS AND COMPOSITIONS FOR TREATMENT NF-κB-MEDIATED AND α7 INTEGRIN-SUPPRESSED DISEASES DMD THERAPIES, LLC (US) 2011-11-24 WO disclosed