SCHEMBL9632182

SCHEMBL9632182

CC(C)=Cc1ccc(CCCCCC(P(=O)(O)O)P(=O)(O)O)cc1

nearest known ligand 0.51

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 1/20 0.44
FDPS P14324 4/20 0.44
S1PR1 P21453 5/20 0.43
S1PR3 Q99500 5/20 0.43
S1PR2 O95136 4/20 0.43
S1PR4 O95977 4/20 0.43

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
SCHEMBL9633195 0.94 FDPS (0.41) ENPP2FDPSS1PR1S1PR3S1PR2
SCHEMBL9663772 0.90 FDFT1 (0.47) FDPSS1PR1S1PR3S1PR2
SCHEMBL9632618 0.83
SCHEMBL9632607 0.83
SCHEMBL9632480 0.79
SCHEMBL9632492 0.79
SCHEMBL9633047 0.79 FDPS (0.42) FDPS
SCHEMBL9631998 0.78 S1PR1 (0.37) FDPSS1PR1S1PR3S1PR4
SCHEMBL9632004 0.77
SCHEMBL8620852 0.75 FDFT1 (0.43)

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 4 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
US-5157027-A Anticholesterol agents E. R. SQUIBB & SONS, INC. (US) 1992-10-20 US 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