SCHEMBL9632097

SCHEMBL9632097

Cc1cc(-c2ccccc2)ccc1/C=C/CC(P(=O)(O)O)P(=O)(O)O

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FDPS P14324 3/20 0.39
ACP3 P15309 3/20 0.39
MMP8 P22894 2/20 0.37
MMP14 P50281 2/20 0.37
CA14 Q9ULX7 2/20 0.37
CA2 P00918 1/20 0.37
CA9 Q16790 1/20 0.37
PPARG P37231 1/20 0.36
PPARA Q07869 1/20 0.36
SLC1A3 P43003 1/20 0.36
SLC1A2 P43004 1/20 0.36
SLC1A1 P43005 1/20 0.36
GGPS1 O95749 3/20 0.35
PDCD1 Q15116 2/20 0.35
CD274 Q9NZQ7 2/20 0.35

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
SCHEMBL9632106 1.00 FDPS (0.39) FDPSACP3MMP8MMP14CA14
SCHEMBL9633235 0.79 GRIK1 (0.52) FDPSACP3MMP8MMP14CA14
SCHEMBL9632094 0.79 GRIK1 (0.52) FDPSACP3MMP8MMP14CA14
SCHEMBL9632086 0.79 GRIK1 (0.52) FDPSACP3MMP8MMP14CA14
SCHEMBL9632541 0.78 FDPS (0.43) FDPSACP3MMP8MMP14CA14
SCHEMBL9632549 0.78 FDPS (0.43) FDPSACP3MMP8MMP14CA14
SCHEMBL9632013 0.76 BACE1 (0.42) FDPSACP3
SCHEMBL9631999 0.76 BACE1 (0.42) FDPSACP3
SCHEMBL6546663 0.73 TLR8 (0.46) PPARGPPARASLC1A3SLC1A2SLC1A1
SCHEMBL9634077 0.72 HDAC3 (0.40) FDPSCA2CA9PPARGPPARA

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