SCHEMBL9633010

SCHEMBL9633010

O=P(O)(O)C(C/C=C/c1ccc(-c2ccc(F)cc2)cc1)P(=O)(O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 2/20 0.46
GRIK2 Q13002 2/20 0.46
HSD11B1 P28845 1/20 0.40
MMP2 P08253 2/20 0.37
MMP1 P03956 1/20 0.37
MMP3 P08254 1/20 0.37
MMP7 P09237 1/20 0.37
MMP9 P14780 1/20 0.37
MMP8 P22894 1/20 0.37
MMP13 P45452 1/20 0.37
MMP14 P50281 1/20 0.37
CA12 O43570 1/20 0.37
TNFRSF1A P19438 1/20 0.37
NFE2L2 Q16236 2/20 0.35
PTGS1 P23219 1/20 0.35
FBP1 P09467 1/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
LMNA P02545 2/20 0.34
POLB P06746 1/20 0.34

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
SCHEMBL9633024 1.00 GRIK1 (0.46) GRIK1GRIK2HSD11B1MMP2MMP1
SCHEMBL9632094 0.86 GRIK1 (0.52) GRIK1GRIK2MMP8MMP14
SCHEMBL9632086 0.86 GRIK1 (0.52) GRIK1GRIK2MMP8MMP14
SCHEMBL9633235 0.86 GRIK1 (0.52) GRIK1GRIK2MMP8MMP14
SCHEMBL9634101 0.82 GRIK1 (0.37) GRIK1GRIK2
SCHEMBL9634107 0.82 GRIK1 (0.37) GRIK1GRIK2
SCHEMBL9633202 0.76 GRIK1 (0.35) GRIK1GRIK2
SCHEMBL9633212 0.76 GRIK1 (0.35) GRIK1GRIK2
SCHEMBL9634077 0.76 HDAC3 (0.40) GRIK1GRIK2CA12
SCHEMBL9634084 0.76 HDAC3 (0.40) GRIK1GRIK2CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0513761-A2 Bisphosphonate squalene synthetase inhibitors E.R. SQUIBB & SONS, INC. (US) 1992-11-19 EP claimed
EP-0513761-A2 Bisphosphonate squalene synthetase inhibitors E.R. SQUIBB & SONS, INC. (US) 1992-11-19 EP disclosed
US-5157027-A Anticholesterol agents E. R. SQUIBB & SONS, INC. (US) 1992-10-20 US disclosed