SCHEMBL9652018

SCHEMBL9652018

O=P(O)(O)C(Sc1ccccc1)P(=O)(O)O

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 2/20 0.64
MMP8 P22894 2/20 0.64
MMP14 P50281 2/20 0.64
SRC P12931 1/20 0.46
MMP1 P03956 1/20 0.44
CA12 O43570 2/20 0.42
CA9 Q16790 2/20 0.42
FDPS P14324 1/20 0.41
CA2 P00918 1/20 0.41
CA4 P22748 1/20 0.41
CA5A P35218 1/20 0.41
ACP3 P15309 3/20 0.41
LAP3 P28838 3/20 0.39
ANPEP P15144 3/20 0.39
LMNA P02545 1/20 0.39
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
KMT2A Q03164 1/20 0.38
ERAP1 Q9NZ08 2/20 0.37
CA14 Q9ULX7 2/20 0.37

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
SCHEMBL8588591 0.92 MMP2 (0.61) MMP2MMP8MMP14SRCMMP1
SCHEMBL8161616 0.80 MMP2 (0.62) MMP2MMP8MMP14MMP1FDPS
Tiludronic Acid SCHEMBL18988 0.78 MMP2 (1.00) MMP2MMP8MMP14MMP1CA12
SCHEMBL10788079 0.78 MMP8 (0.66) MMP2MMP8MMP14MMP1CA12
SCHEMBL2149971 0.78 MMP2 (0.66) MMP2MMP8MMP14MMP1FDPS
SCHEMBL8589347 0.78 MMP2 (0.66) MMP2MMP8MMP14MMP1FDPS
SCHEMBL7761461 0.78 MMP2 (0.55) MMP2MMP8MMP14MMP1ACP3
SCHEMBL8166949 0.78 MMP2 (0.50) MMP2MMP8MMP14FDPSALDH1A1
Tiludronic Acid SCHEMBL3628467 0.77 MMP2 (0.96) MMP2MMP8MMP14MMP1CA12
SCHEMBL26135898 0.77 MMP2 (0.63) MMP2MMP8MMP14MMP1FDPS

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
EP-0339237-B1 PHENOL SUBSTITUTED GEM-DIPHOSPHONATE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SYMPHAR S.A. (CH) 1992-12-30 EP claimed