SCHEMBL1226946

SCHEMBL1226946

CC([n+]1ccc(-c2cc[n+](C(C)P(=O)(O)O)cc2)cc1)P(=O)(O)O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACP3 P15309 5/20 0.35
▸ PTPN5 P54829 3/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ LMNA P02545 2/20 0.33
▸ HTT P42858 2/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ MMP8 P22894 5/20 0.33
▸ MMP14 P50281 4/20 0.33
▸ MMP1 P03956 3/20 0.33
▸ MMP2 P08253 3/20 0.33
▸ MMP3 P08254 3/20 0.33
▸ MMP7 P09237 3/20 0.33
▸ MMP9 P14780 3/20 0.33
▸ MMP13 P45452 3/20 0.33
▸ CA14 Q9ULX7 1/20 0.32
▸ PGK1 P00558 2/20 0.32
▸ PGK2 P07205 2/20 0.32
▸ GGPS1 O95749 1/20 0.32
▸ SRC P12931 1/20 0.31

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
Hydrochloric Acid SCHEMBL1227055 0.98 ACP3 (0.34) ACP3PTPN5ALDH1A1LMNAHTT
Bromide SCHEMBL1227449 0.98 LMNA (0.36) ACP3PTPN5ALDH1A1LMNAHTT
Bromide SCHEMBL2462792 0.91 SLC6A4 (0.41) ALDH1A1LMNAHTTSMN1; SMN2KDM4E
Hydrochloric Acid SCHEMBL6442055 0.88 PABPC1 (0.43) LMNAGGPS1
Bromide SCHEMBL6874660 0.86 KDM4E (0.31) ALDH1A1LMNAHTTSMN1; SMN2KDM4E
Bromide SCHEMBL6873657 0.86 GGPS1 (0.35) ALDH1A1LMNAHTTSMN1; SMN2KDM4E
SCHEMBL4330742 0.83 MMP8 (0.37) PTPN5ALDH1A1LMNAHTTSMN1; SMN2
Hydrochloric Acid SCHEMBL2263262 0.82 MMP8 (0.36) ALDH1A1LMNAHTTSMN1; SMN2KDM4E
Hydrochloric Acid SCHEMBL2266110 0.81 ACP3 (0.35) ACP3ALDH1A1LMNAHTTSMN1; SMN2
Hydrochloric Acid SCHEMBL2264607 0.81 MMP2 (0.37) MMP8MMP14MMP1MMP2MMP3

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 16 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-2287937-A2 Charge generators in heterolamellar multilayer thin films The University of Southern California (US) 2011-02-23 — — EP disclosed
EP-0871985-B1 HETEROLAMELLAR PHOTOVOLTAIC FILMS UNIV PRINCETON (US) 2009-08-19 — — EP disclosed
EP-1386884-B1 Process for production of hydrogen peroxide by direct synthesis from hydrogen and oxygen UNIV PRINCETON (US) 2007-03-07 — — EP disclosed
EP-1394185-A1 Derivative of polyvinylpyridine THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2004-03-03 — — EP disclosed
EP-1386884-A1 Electron acceptor compositions on polymer templates and catalytic production of hydrogen peroxide THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2004-02-04 — — EP disclosed
EP-0846082-B1 ELECTRON ACCEPTOR COMPOSITIONS ON POLYMER TEMPLATES AND CATALYTIC PRODUCTION OF HYDROGEN PEROXIDE UNIV PRINCETON (US) 2003-10-08 — — EP disclosed
EP-0713492-B1 ELECTRON ACCEPTOR COMPOSITIONS UNIV PRINCETON (US) 2001-07-18 — — EP disclosed
US-6187871-B1 DECOMPOSITION OF WATER; CATALYST THE TRUSTEES OF PRINCETON UNIVERSITY 2001-02-13 — — US 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
US-5906892-A GROUP VIII METAL COMPLEX ON SUPPORT THE TRUSTEES OF PRINCETON UNIVERSITY (US) 1999-05-25 — — US disclosed
US-5695890-A PHOTOELECTRODE COMPRISING CHARGE TRANSFER COMPLEX; REDOX CATALYSTS THE TRUSTEES OF PRINCETON UNIVERSITY (US) 1997-12-09 — — US disclosed
EP-0713492-A1 ELECTRON ACCEPTOR COMPOSITIONS THE TRUSTEES OF PRINCETON UNIVERSITY (US) 1996-05-29 — — EP disclosed
US-5500297-A PHOTOINDUCED CHARGE SEPARATION, ORGANIC PILLARS, REPEATING CATIONIC CENTERS AND METAL PHOSPHONATES WITH ENTRAPPED COLLOIDAL PARTICLES OF PALLADIUM OR PLATINUM THE TRUSTEES OF PRINCETON UNIVERSITY (US) 1996-03-19 — — US disclosed
US-5480629-A TREATING AN AQUEOUS SUSPENSION OF CATALYST WITH OXYGEN AND HYDROGEN SOURCES, SEPARATING THE CATALYST AND ISOLATING HYDROGEN PEROXIDE THE TRUSTEES OF PRINCETON UNIVERSITY (US) 1996-01-02 — — US disclosed
WO-1995004743-A1 ELECTRON ACCEPTOR COMPOSITIONS THE TRUSTEES OF PRINCETON UNIVERSITY (US) 1995-02-16 — — WO disclosed
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