SCHEMBL5057643

SCHEMBL5057643

C=CCOP(=O)(OC)OP(=O)(O)OC.CC(C)CCOP(=O)(O)OP(=O)(O)O

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
BTN3A1 O00481 3/20 0.41
TDP1 Q9NUW8 1/20 0.35
FNTA P49354 10/20 0.33
FNTB P49356 8/20 0.33
PGGT1B P53609 5/20 0.33
MVD P53602 2/20 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
Pyrophosphoric Acid SCHEMBL5062991 0.84 BTN3A1 (0.39) BTN3A1TDP1FNTAFNTBPGGT1B
Isopentenylpyrophosphate SCHEMBL1272412 0.84 BTN3A1 (0.64) BTN3A1FNTAFNTBPGGT1B
SCHEMBL156418 0.82 BTN3A1 (0.34) BTN3A1FNTAFNTBPGGT1B
Ammonia Solution, Strong SCHEMBL29131478 0.81 BTN3A1 (0.33) BTN3A1FNTAFNTBPGGT1B
Ammonia Solution, Strong SCHEMBL29131479 0.79 BTN3A1 (0.33) BTN3A1
Ammonia Solution, Strong SCHEMBL29131480 0.79 BTN3A1 (0.33) BTN3A1
SCHEMBL155705 0.78 BTN3A1 (0.53) BTN3A1FNTAFNTBPGGT1BMVD
SCHEMBL155704 0.78 BTN3A1 (0.53) BTN3A1FNTAFNTBPGGT1BMVD
Ammonia Solution, Strong SCHEMBL29111943 0.76 BTN3A1 (0.38) BTN3A1TDP1FNTAFNTBPGGT1B
SCHEMBL570545 0.74 BTN3A1 (0.43) 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-20080039383-A1 Methods and compositions for inhibiting ER-stress induced cholesterol/triglyceride accumulation HAMILTON CIVIC HOSPITAL RESEARCH DEVELOPMENT INC. (CA) 2008-02-14 US disclosed
WO-2001035986-A2 METHODS AND COMPOSITIONS FOR MODULATING ER-STRESS-INDUCED CHOLESTEROL ACCUMULATION HAMILTON CIVIC HOSPITALS RESEARCH DEVELOPMENT INC. (CA) 2001-05-25 WO disclosed