SCHEMBL228211

SCHEMBL228211

CCCC[P+](CCCC)(CCCC)CCCC.O=C([O-])OC1CCCCC1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 3/20 0.51
EPHX1 P07099 2/20 0.44
HTT P42858 2/20 0.39
ALDH1A1 P00352 1/20 0.39
MMP1 P03956 1/20 0.37
MMP7 P09237 1/20 0.37
MMP12 P39900 1/20 0.37
ECE1 P42892 1/20 0.37
MMP13 P45452 1/20 0.37
CA2 P00918 3/20 0.36
CTSL P07711 1/20 0.36
CTSB P07858 1/20 0.36
CTSK P43235 1/20 0.36
METAP1 P53582 1/20 0.36
DNM1 Q05193 2/20 0.35
SIGMAR1 Q99720 1/20 0.35
CYP2C19 P33261 1/20 0.35

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
SCHEMBL3681081 0.98 NAAA (0.50) NAAAEPHX1HTTALDH1A1MMP1
SCHEMBL19105263 0.77 NAAA (0.54) NAAAEPHX1HTTALDH1A1MMP1
SCHEMBL31112587 0.76 EPHX1 (0.48) NAAAEPHX1HTTMMP1MMP12
SCHEMBL20565968 0.76 CA2 (0.40) NAAAMMP1MMP7MMP12ECE1
SCHEMBL4743690 0.75 NAAA (0.53) NAAAEPHX1HTTALDH1A1MMP1
SCHEMBL28750570 0.75 NAAA (0.53) NAAAEPHX1HTTALDH1A1MMP1
SCHEMBL30022635 0.74 NAAA (0.51) NAAAEPHX1HTTALDH1A1MMP1
SCHEMBL3908224 0.74 CA2 (0.54) NAAAEPHX1HTTALDH1A1CA2
SCHEMBL3056539 0.74 AKT1 (0.43) NAAAEPHX1MMP1MMP7MMP12
Ammonia Solution, Strong SCHEMBL11651733 0.73 CA2 (0.53) NAAAEPHX1HTTALDH1A1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8399575-B2 Crosslinkable materials based on organosilicon compounds WACKER CHEMIE AG (DE) 2013-03-19 US disclosed
US-20120004364-A1 Crosslinkable Materials Based On Organosilicon Compounds WACKER CHEMIE AG (DE) 2012-01-05 US disclosed
EP-2031024-B1 Crosslinkable materials based on organosilicon compounds WACKER CHEMIE AG (DE) 2010-02-24 EP disclosed
EP-2150577-A1 CROSS-LINKABLE MASSES COMPRISING PHOSPHORUS COMPOUNDS Wacker Chemie AG (DE) 2010-02-10 EP disclosed
US-20090062471-A1 CROSSLINKABLE MATERIALS BASED ON ORGANOSILICON COMPOUNDS WACKER CHEMIE AG (DE) 2009-03-05 US disclosed
EP-2031024-A1 Crosslinkable materials based on organosilicon compounds Wacker Chemie AG (DE) 2009-03-04 EP disclosed
WO-2008141951-A1 CROSS-LINKABLE MASSES COMPRISING PHOSPHORUS COMPOUNDS WACKER CHEMIE AG (DE) 2008-11-27 WO disclosed