SCHEMBL16784665

SCHEMBL16784665

C=C(C)CCOP(C)(=O)O

nearest known ligand 0.62

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
BTN3A1 O00481 1/20 0.62
SAT1 P21673 1/20 0.40
EPHX1 P07099 1/20 0.33
CA2 P00918 1/20 0.30
LPAR3 Q9UBY5 3/20 0.30
LPAR1 Q92633 2/20 0.30
LPAR2 Q9HBW0 2/20 0.30

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
Isopentenyl Phosphate SCHEMBL545278 0.84 BTN3A1 (0.70) BTN3A1EPHX1LPAR3LPAR1LPAR2
SCHEMBL17705187 0.84 BTN3A1 (0.59) BTN3A1EPHX1
SCHEMBL21571268 0.84 BTN3A1 (0.77) BTN3A1EPHX1LPAR3LPAR1LPAR2
Isopentenyl Phosphate SCHEMBL28018171 0.82 BTN3A1 (0.68) BTN3A1EPHX1LPAR3LPAR1LPAR2
SCHEMBL7469881 0.81 BTN3A1 (0.61) BTN3A1EPHX1
SCHEMBL3211424 0.80 BTN3A1 (0.85) BTN3A1
SCHEMBL3215369 0.78 BTN3A1 (0.81) BTN3A1
SCHEMBL3221328 0.77 BTN3A1 (0.62) BTN3A1EPHX1
SCHEMBL18686710 0.77 SAT1 (0.50) BTN3A1SAT1CA2LPAR3LPAR1
Isopentenylpyrophosphate SCHEMBL125521 0.77 BTN3A1 (1.00) BTN3A1

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-20150307858-A1 METHODS AND COMPOSITION FOR ISOPRENOID DIPHOSPHATE SYNTHESIS NATIONAL SCIENCE FOUNDATION 2015-10-29 US disclosed
US-9051555-B2 Methods and composition for isoprenoid diphosphate synthesis SALK INSTITUTE FOR BIOLOGICAL STUDIES (US) 2015-06-09 US disclosed