SCHEMBL3836739

SCHEMBL3836739

O=P(O)(O)CCCCNc1ccc(NCCCCP(=O)(O)O)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 7/20 0.46
ENPP1 P22413 1/20 0.46
S1PR2 O95136 6/20 0.45
S1PR1 P21453 6/20 0.45
S1PR3 Q99500 6/20 0.45
S1PR4 O95977 5/20 0.45
GRIN2D O15399 1/20 0.44
GRIN3B O60391 1/20 0.44
GRIN1 Q05586 1/20 0.44
GRIN2A Q12879 1/20 0.44
GRIN2B Q13224 1/20 0.44
GRIN2C Q14957 1/20 0.44
GRIN3A Q8TCU5 1/20 0.44
F2 P00734 2/20 0.44
PRSS2 P07478 2/20 0.44
PRSS3 P35030 2/20 0.44
TMPRSS6 Q8IU80 2/20 0.44
ST14 Q9Y5Y6 2/20 0.44
TYMS P04818 1/20 0.44
ALDH1A1 P00352 1/20 0.41

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
SCHEMBL27491285 0.90 ALDH1A1 (0.57) ENPP1S1PR2S1PR1S1PR3S1PR4
SCHEMBL3705380 0.84 ALDH1A1 (0.59) S1PR2S1PR1S1PR3S1PR4GRIN2D
SCHEMBL31707927 0.78 S1PR2 (0.49) S1PR2S1PR1S1PR3S1PR4S1PR5
Phosphonic Acid SCHEMBL9063363 0.77 MMP8 (0.46) S1PR2S1PR1S1PR3S1PR4ALDH1A1
Bromide SCHEMBL8920602 0.76 PRSS1 (0.46) PRSS1F2PRSS2PRSS3TMPRSS6
SCHEMBL11436532 0.73 TYMS (0.52) S1PR2S1PR1S1PR3S1PR4GRIN2D
SCHEMBL14210023 0.72 TYMS (0.58) S1PR2S1PR1S1PR3S1PR4TYMS
SCHEMBL13538598 0.72 HPGD (0.41) ALDH1A1
SCHEMBL7648476 0.72 MAPT (0.53) S1PR2S1PR1S1PR3S1PR4ALDH1A1
SCHEMBL7645204 0.71 RHOC (0.45) S1PR2S1PR1S1PR3S1PR4ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1004143-B1 CHARGE GENERATORS IN HETEROLAMELLAR MULTILAYER THIN FILMS UNIV SOUTHERN CALIFORNIA (US) 2012-09-05 EP disclosed
EP-0871985-B1 HETEROLAMELLAR PHOTOVOLTAIC FILMS UNIV PRINCETON (US) 2009-08-19 EP disclosed
EP-1004143-A4 CHARGE GENERATORS IN HETEROLAMELLAR MULTILAYER THIN FILMS UNIV SOUTHERN CALIFORNIA (US) 2006-04-12 EP disclosed
US-6107561-A A PHOTOVOLTAIC CELL COMPRISING REDOX SYSTEMS FOR PRODUCTION OF HYDROGEN PEROXIDE FROM OXYGEN AND HYDROGEN GASES, THE PRODUCTION OF HYDROGEN GAS FROM WATER, AND THE REDUCTION OF KETONES TO FORM ALCOHOLS UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2000-08-22 US disclosed
EP-1004143-A1 CHARGE GENERATORS IN HETEROLAMELLAR MULTILAYER THIN FILMS THE UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2000-05-31 EP disclosed
EP-0871985-A4 HETEROLAMELLAR PHOTOVOLTAIC FILMS UNIV PRINCETON (US) 1999-06-09 EP disclosed
WO-1999003154-A1 CHARGE GENERATORS IN HETEROLAMELLAR MULTILAYER THIN FILMS UNIVERSITY OF SOUTHERN CALIFORNIA (US) 1999-01-21 WO disclosed
EP-0871985-A1 HETEROLAMELLAR PHOTOVOLTAIC FILMS THE TRUSTEES OF PRINCETON UNIVERSITY (US) 1998-10-21 EP disclosed
US-5695890-A PHOTOELECTRODE COMPRISING CHARGE TRANSFER COMPLEX; REDOX CATALYSTS THE TRUSTEES OF PRINCETON UNIVERSITY (US) 1997-12-09 US disclosed
WO-1997024775-A1 HETEROLAMELLAR PHOTOVOLTAIC FILMS THE TRUSTEES OF PRINCETON UNIVERSITY (US) 1997-07-10 WO disclosed