SCHEMBL9631998

SCHEMBL9631998

CC(C)=Cc1cccc(CCCC(P(=O)(O)O)P(=O)(O)O)c1

nearest known ligand 0.49

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 4/20 0.37
S1PR4 O95977 2/20 0.37
S1PR5 Q9H228 2/20 0.37
FDPS P14324 2/20 0.37
S1PR3 Q99500 1/20 0.36

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
SCHEMBL9632040 0.86
SCHEMBL9632053 0.86
SCHEMBL9633195 0.83 FDPS (0.41) S1PR1S1PR4FDPSS1PR3
SCHEMBL9663772 0.80 FDFT1 (0.47) S1PR1FDPSS1PR3
SCHEMBL9632182 0.78 ENPP2 (0.44) S1PR1S1PR4FDPSS1PR3
SCHEMBL9633336 0.76 CYP4F2 (0.44)
SCHEMBL9633367 0.75 HMGCR (0.36)
SCHEMBL9632621 0.74 FDFT1 (0.54) S1PR1S1PR4FDPSS1PR3
SCHEMBL8916211 0.74 ANPEP (0.58) S1PR1S1PR4S1PR3
SCHEMBL9632004 0.71

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