SCHEMBL13895152

SCHEMBL13895152

CCOP(=O)(O)OP(=O)(O)OP(=O)(O)OC

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 2/20 0.45
TSHR P16473 2/20 0.40
BTN3A1 O00481 3/20 0.38
TP53 P04637 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
MVD P53602 1/20 0.33
P2RY2 P41231 1/20 0.33
P2RY4 P51582 1/20 0.33
PLA2G2A P14555 1/20 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
SCHEMBL26383509 0.98 PPARD (0.46) PPARDTSHRBTN3A1TP53TDP1
SCHEMBL627986 0.88 PPARD (0.54) PPARDTSHRBTN3A1TP53TDP1
Ammonia Solution, Strong SCHEMBL628386 0.85 PPARD (0.52) PPARDTSHRBTN3A1TP53TDP1
SCHEMBL887550 0.85
SCHEMBL8078110 0.84 BTN3A1 (0.50) PPARDTSHRBTN3A1TDP1MVD
Diethyl Hydrogen Phosphate SCHEMBL22471870 0.83 TSHR (0.46) PPARDTSHRTP53TDP1PLA2G2A
Fluoride SCHEMBL28490002 0.83 TSHR (0.46) PPARDTSHRTP53TDP1PLA2G2A
Ammonia Solution, Strong SCHEMBL26929057 0.83
SCHEMBL13254631 0.83 FDPS (0.39) BTN3A1TDP1P2RY2P2RY4
SCHEMBL28480515 0.82 BTN3A1 (0.48) PPARDTSHRBTN3A1TDP1MVD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009040087-A2 THERAPEUTIC USE OF PEPTIDE YGLF AND COMBINATION WITH KVLPVPQ MONDOBIOTECH LABORATORIES AG (LI) 2009-04-02 WO disclosed
WO-2009033794-A2 USE OF ENDOTHELIN-1, OPTIONALLY IN COMBINATION WITH OBESTATIN, AS A THERAPEUTIC AGENT MONDOBIOTECH LABORATORIES AG (LI) 2009-03-19 WO disclosed
WO-2009033793-A2 PENTAGASTRIN AS A THERAPEUTIC AGENT MONDOBIOTECH LABORATORIES AG (LI) 2009-03-19 WO disclosed