SCHEMBL28587117

SCHEMBL28587117

CC(C)(CCO)OP(=O)(O)OP(=O)(O)O

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
BTN3A1 O00481 4/20 0.40
MVD P53602 4/20 0.35
FDPS P14324 1/20 0.35
BLM P54132 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
PPARD Q03181 1/20 0.32
SMPD1 P17405 3/20 0.32

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
SCHEMBL4185799 0.83 SMPD1 (0.39) FDPSPPARDSMPD1
SCHEMBL4419907 0.81 SMPD1 (0.44) BTN3A1FDPSSMPD1
SCHEMBL5455779 0.79 BTN3A1 (0.42) BTN3A1MVDFDPSBLMTDP1
SCHEMBL28766325 0.79 BTN3A1 (0.42) BTN3A1MVDFDPSBLMTDP1
SCHEMBL1942944 0.79 MVD (0.42) BTN3A1MVDTDP1PPARD
SCHEMBL1978788 0.75 GRM4 (0.35) FDPSPPARDSMPD1
SCHEMBL2871051 0.73 FDPS (0.45) BTN3A1MVDFDPSBLMTDP1
SCHEMBL8837389 0.73 BTN3A1 (0.33) BTN3A1PPARDSMPD1
SCHEMBL12234256 0.70 FDPS (0.41) BTN3A1MVDFDPSBLMTDP1
SCHEMBL17333449 0.70 FDPS (0.44) FDPSSMPD1

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
CN-113151316-B Method for improving heat resistance of plants by controlling content of MECPP (mecPP) through controlling HDS22 gene 湖北大学 2022-06-24 CN disclosed
CN-113151316-A Method for regulating and controlling content of MECPP (MEcPP) by controlling HDS22 gene so as to improve heat resistance of plants 湖北大学 2021-07-23 CN disclosed