SCHEMBL5006722

SCHEMBL5006722

OC1=C(c2ccccc2)CCC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FGF23 Q9GZV9 1/20 0.50
PTGS2 P35354 1/20 0.46
ESR1 P03372 6/20 0.41
SLC6A2 P23975 1/20 0.40
SLC6A4 P31645 1/20 0.40
SLC6A3 Q01959 1/20 0.40
CFTR P13569 1/20 0.39
GOPC Q9HD26 1/20 0.39
BCL2L1 Q07817 2/20 0.39
MMP3 P08254 1/20 0.39
BACE1 P56817 1/20 0.37
ALDH1A1 P00352 3/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HPGD P15428 2/20 0.36
HSD17B10 Q99714 2/20 0.36
KDM4E B2RXH2 1/20 0.35
LMNA P02545 1/20 0.35
TP53 P04637 1/20 0.35
POLB P06746 1/20 0.35
MAPT P10636 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
SCHEMBL6810189 0.95 FGF23 (0.46) FGF23PTGS2ESR1SLC6A2SLC6A4
SCHEMBL29681890 0.93 SLC6A2 (0.46) FGF23PTGS2ESR1SLC6A2SLC6A4
SCHEMBL6566571 0.85 CFTR (0.42) FGF23PTGS2ESR1SLC6A2SLC6A4
SCHEMBL8518215 0.82 PTGS2 (0.59) FGF23PTGS2SLC6A2SLC6A4SLC6A3
SCHEMBL28817087 0.77 ALOX15 (0.39) FGF23PTGS2SLC6A3ALDH1A1HPGD
SCHEMBL8653245 0.76 PTGS2 (0.54) FGF23PTGS2SLC6A2SLC6A4SLC6A3
SCHEMBL8705170 0.74 PTGS2 (0.52) FGF23PTGS2SLC6A2SLC6A4SLC6A3
SCHEMBL30877921 0.74 PTGS2 (0.52) FGF23PTGS2SLC6A2SLC6A4SLC6A3
SCHEMBL30144760 0.74 PTGS2 (0.52) FGF23PTGS2SLC6A2SLC6A4SLC6A3
SCHEMBL8705175 0.74 PTGS2 (0.52) FGF23PTGS2SLC6A2SLC6A4SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7449533-B2 Metallocene compound, process for preparing metallocene compound, olefin polymerization catalyst, process for preparing polyolefin, and polyolefin MITSUI CHEMICALS, INC. (JP) 2008-11-11 US disclosed
EP-1138687-B1 Metallocenes, their preparation, olefin polymerisation catalysts and a process for producing polyolefins MITSUI CHEMICALS INC (JP) 2007-04-11 EP disclosed
US-20050228155-A1 Metallocene compound, process for preparing metallocene compund, olefin polymerization catalyst, process for preparing polyolefin, and polyolefin MITSUI CHEMICALS, INC. (JP) 2005-10-13 US disclosed
US-6939928-B1 Metallocene compound, process for producing metallocene compound, olefin polymerization catalyst, process for producing polyolefin, and polyolefin MITSUI CHEMICALS, INC. (JP) 2005-09-06 US disclosed
EP-1138687-A1 METALLOCENE COMPOUND, PROCESS FOR PRODUCING METALLOCENE COMPOUND, OLEFIN POLYMERIZATION CATALYST, PROCESS FOR PRODUCING POLYOLEFIN, AND POLYOLEFIN Mitsui Chemicals, Inc. (JP) 2001-10-04 EP disclosed
EP-0735880-A1 USE OF VANADIUM MOLYBDENUM OR TUNGSTEN COMPLEXES FOR CONTROLLING CELLULAR PROLIFERATION Bristol-Myers Squibb Company (US) 1996-10-09 EP disclosed