SCHEMBL11045698

SCHEMBL11045698

[CH2]CC(O)P(=O)(OCC)OCC

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.44
TSHR P16473 2/20 0.40
GAA P10253 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
TP53 P04637 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
PPARD Q03181 2/20 0.37
HMGCR P04035 2/20 0.37
ALDH1A1 P00352 1/20 0.33

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
SCHEMBL20558035 0.81 POLB (0.47) POLBTSHRGAAL3MBTL1TP53
SCHEMBL20768685 0.79 CYP3A4 (0.48) TSHRGAAL3MBTL1CYP3A4
SCHEMBL2821620 0.77 POLB (0.44) POLBTSHRGAAL3MBTL1TP53
SCHEMBL7173216 0.77 POLB (0.44) POLBTSHRGAAL3MBTL1TP53
SCHEMBL27687653 0.76 POLB (0.47) POLBTSHRGAAL3MBTL1TP53
SCHEMBL4453625 0.76 PPARD (0.45) POLBTSHRGAAL3MBTL1TP53
SCHEMBL3904945 0.75 POLB (0.50) POLBTSHRGAAL3MBTL1TP53
SCHEMBL4462235 0.75 POLB (0.50) POLBTSHRGAAL3MBTL1TP53
SCHEMBL7298542 0.74 TSHR (0.42) POLBTSHRGAAL3MBTL1TP53
SCHEMBL3822346 0.73 POLB (0.48) POLBTSHRGAAL3MBTL1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4475943-A Herbicidal α-hydroxy phosphonates MONSANTO COMPANY (US) 1984-10-09 US disclosed
US-4413125-A α-Hydroxy phosphonates MONSANTO COMPANY (US) 1983-11-01 US disclosed