SCHEMBL18128306

SCHEMBL18128306

CCC=CCOP(=O)(O)OP(=O)(O)O

nearest known ligand 0.58

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
BTN3A1 O00481 4/20 0.58
FNTA P49354 9/20 0.46
FNTB P49356 7/20 0.46
PGGT1B P53609 4/20 0.46
LPAR2 Q9HBW0 2/20 0.44
LPAR3 Q9UBY5 2/20 0.44
LPAR1 Q92633 1/20 0.44

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
Crotyl Pyrophosphate SCHEMBL14993578 0.82 BTN3A1 (0.60) BTN3A1FNTAFNTBPGGT1B
Crotyl Pyrophosphate SCHEMBL2513892 0.82 BTN3A1 (0.60) BTN3A1FNTAFNTBPGGT1B
SCHEMBL7639274 0.82 BTN3A1 (0.55) BTN3A1FNTAFNTBPGGT1B
SCHEMBL1263444 0.78 BTN3A1 (0.52) BTN3A1FNTAFNTBPGGT1B
SCHEMBL14953331 0.77 BTN3A1 (0.69) BTN3A1FNTAFNTBPGGT1B
Dimethylallyl Diphosphate SCHEMBL156447 0.73 BTN3A1 (1.00) BTN3A1FNTAFNTBPGGT1B
SCHEMBL14941151 0.73 BTN3A1 (0.41) BTN3A1FNTAFNTBPGGT1BLPAR2
Dimethylallyl Diphosphate SCHEMBL28284481 0.73 BTN3A1 (1.00) BTN3A1FNTAFNTBPGGT1B
Dimethylallyl Diphosphate SCHEMBL153577 0.73 BTN3A1 (1.00) BTN3A1FNTAFNTBPGGT1B
SCHEMBL609969 0.73 BTN3A1 (0.54) BTN3A1FNTAFNTBPGGT1B

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-9637766-B2 Host cells and methods for producing 1-deoxyxylulose 5-phosphate (DXP) and/or a DXP derived compound THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2017-05-02 US disclosed
US-20160298153-A1 Host Cells and Methods for Producing 1-Deoxyxylulose 5-phosphate (DXP) and/or a DXP Derived Compound THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2016-10-13 US disclosed