SCHEMBL4557580

SCHEMBL4557580

CCC(C)(O)CCCCc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FDPS P14324 5/20 0.46
L3MBTL1 Q9Y468 1/20 0.44
MAOA P21397 1/20 0.44
POLB P06746 1/20 0.44
GGPS1 O95749 1/20 0.43
SIGMAR1 Q99720 4/20 0.43
MAPT P10636 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43
CHRM2 P08172 1/20 0.43
HTR1A P08908 1/20 0.43
ADRA2A P08913 1/20 0.43
CHRM1 P11229 1/20 0.43
DRD1 P21728 1/20 0.43
SLC6A2 P23975 1/20 0.43
SLC6A4 P31645 1/20 0.43
ADRA1A P35348 1/20 0.43
OPRM1 P35372 1/20 0.43
DRD3 P35462 1/20 0.43
SLC6A3 Q01959 1/20 0.43
KCNH2 Q12809 1/20 0.43

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
SCHEMBL11639734 0.98 SIGMAR1 (0.46) FDPSL3MBTL1POLBSIGMAR1MAPT
SCHEMBL11638625 0.98 SIGMAR1 (0.46) FDPSL3MBTL1POLBSIGMAR1MAPT
SCHEMBL27782631 0.94 POLB (0.45) FDPSL3MBTL1MAOAPOLBGGPS1
SCHEMBL114480 0.86 TDP1 (0.43) FDPSPOLBMAPTSLC6A2ALOX15
SCHEMBL11861829 0.84 L3MBTL1 (0.43) FDPSL3MBTL1MAOAPOLBGGPS1
SCHEMBL4557607 0.82 L3MBTL1 (0.48) FDPSL3MBTL1MAOAPOLBGGPS1
SCHEMBL11864517 0.82 SIGMAR1 (0.44) FDPSL3MBTL1POLBGGPS1SIGMAR1
SCHEMBL11637834 0.82 IGF1R (0.46) CHRM2ADRA2ACHRM1SLC6A2SLC6A4
SCHEMBL11640727 0.82 IGF1R (0.46) CHRM2ADRA2ACHRM1SLC6A2SLC6A4
SCHEMBL9545400 0.81 POLB (0.44) FDPSL3MBTL1POLBSIGMAR1CHRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1524289-B1 POLYMERIZABLE COMPOSITION, OPTICAL MATERIAL COMPRISING THE COMPOSITION AND METHOD FOR PRODUCING THE MATERIAL MITSUBISHI GAS CHEMICAL CO (JP) 2009-09-16 EP disclosed
US-20070149639-A1 Polymerizable composition, optical material comprising the composition and method for producing the material HORIKOSHI HIROSHI 2007-06-28 US disclosed
EP-1524289-A1 POLYMERIZABLE COMPOSITION, OPTICAL MATERIAL COMPRISING THE COMPOSITION AND METHOD FOR PRODUCING THE MATERIAL MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2005-04-20 EP disclosed
US-20040254258-A1 Polymerizable composition, optical material comprising the composition and method for producing the material MITSUBISHI GAS CHEMICAL CO., LTD. (JP) 2004-12-16 US disclosed