SCHEMBL8994332

SCHEMBL8994332

CN(C)CCSc1ccc(SC(P(=O)(O)O)P(=O)(O)O)cc1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 1/20 0.51
MMP8 P22894 1/20 0.51
MMP14 P50281 1/20 0.51
SLC6A4 P31645 1/20 0.48
FDPS P14324 3/20 0.42
SERPINE1 P05121 1/20 0.40
RAB9A P51151 1/20 0.40
THRB P10828 2/20 0.39
THRA P10827 1/20 0.39
HTR7 P34969 6/20 0.38
HTR1A P08908 2/20 0.38
MMP1 P03956 1/20 0.37
DRD2 P14416 1/20 0.33
HTR2A P28223 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
SCHEMBL8589716 0.80 MMP2 (0.58) MMP2MMP8MMP14FDPSRAB9A
SCHEMBL8588143 0.78 MMP2 (0.59) MMP2MMP8MMP14SLC6A4FDPS
SCHEMBL8994333 0.77 SLC6A4 (0.43) SLC6A4FDPSSERPINE1RAB9ATHRB
SCHEMBL2149971 0.72 MMP2 (0.66) MMP2MMP8MMP14SLC6A4FDPS
SCHEMBL10788079 0.72 MMP8 (0.66) MMP2MMP8MMP14FDPSMMP1
SCHEMBL8589347 0.72 MMP2 (0.66) MMP2MMP8MMP14SLC6A4FDPS
SCHEMBL8070325 0.72 SLC6A4 (0.54) SLC6A4SERPINE1RAB9ATHRBTHRA
SCHEMBL8589189 0.72 SLC6A4 (0.39) SLC6A4FDPSSERPINE1RAB9ATHRB
SCHEMBL8994328 0.72 MMP2 (0.44) MMP2MMP8MMP14FDPSMMP1
SCHEMBL8588324 0.72 SLC6A4 (0.58) SLC6A4SERPINE1RAB9ATHRBTHRA

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-5527940-A SUPPRESSES INTERLEUKIN-1 AND BONE DESTRUCTION DURING OSTEOPOROSIS; ANTIINFLAMMATORY AGENTS TORAY INDUSTRIES, INC. (JP) 1996-06-18 US disclosed