SCHEMBL4760086

SCHEMBL4760086

CCCCC(=O)NCCCS(=O)(=O)O

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CASP2 P42575 1/20 0.58
NAAA Q02083 1/20 0.55
FAAH O00519 3/20 0.51
EPHX2 P34913 4/20 0.51
DNM1 Q05193 2/20 0.49
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
HSD17B10 Q99714 1/20 0.47
SLC6A5 Q9Y345 1/20 0.46
CNR1 P21554 1/20 0.46
ALDH1A1 P00352 1/20 0.46

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
SCHEMBL6569046 0.98 CASP2 (0.56) CASP2NAAAFAAHEPHX2DNM1
SCHEMBL18139443 0.95 CASP2 (0.61) CASP2NAAAFAAHEPHX2DNM1
SCHEMBL18141705 0.93 CASP2 (0.65) CASP2NAAAFAAHEPHX2DNM1
SCHEMBL18140026 0.93 CASP2 (0.65) CASP2NAAAFAAHEPHX2DNM1
SCHEMBL18140129 0.93 CASP2 (0.65) CASP2NAAAFAAHEPHX2DNM1
SCHEMBL11575058 0.91 CASP2 (0.62) CASP2NAAAFAAHEPHX2DNM1
SCHEMBL12643925 0.91 CASP2 (0.55) CASP2NAAAFAAHEPHX2DNM1
SCHEMBL4760134 0.91 CASP2 (0.66) CASP2NAAAFAAHEPHX2DNM1
SCHEMBL6578225 0.89 CASP2 (0.65) CASP2NAAAFAAHEPHX2DNM1
SCHEMBL6571910 0.89 CASP2 (0.63) CASP2NAAAFAAHEPHX2DNM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4156795-B2 2008-09-24 JP claimed
EP-1051393-B1 NEW DERIVATIVES OF SULFONIC, PHOSPHONIC AND PHOSPHINIC AMINOALKANE ACIDS, THEIR PRODUCTION AND THEIR USE AS MEDICAMENTS MERCK SANTE SAS (FR) 2003-10-01 EP claimed
JP-2002501040-A 2002-01-15 JP claimed
EP-1051393-A1 NEW DERIVATIVES OF SULFONIC, PHOSPHONIC AND PHOSPHINIC AMINOALKANE ACIDS, THEIR PRODUCTION AND THEIR USE AS MEDICAMENTS LIPHA (FR) 2000-11-15 EP claimed
WO-1999037606-A1 NEW DERIVATIVES OF SULFONIC, PHOSPHONIC AND PHOSPHINIC AMINOALKANE ACIDS, THEIR PRODUCTION AND THEIR USE AS MEDICAMENTS LIPHA (FR) 1999-07-29 WO claimed
EP-1051393-B1 NEW DERIVATIVES OF SULFONIC, PHOSPHONIC AND PHOSPHINIC AMINOALKANE ACIDS, THEIR PRODUCTION AND THEIR USE AS MEDICAMENTS MERCK SANTE SAS (FR) 2003-10-01 EP disclosed
US-6265437-B1 ALCOHOLISM LIPHA (FR) 2001-07-24 US disclosed
EP-1051393-A1 NEW DERIVATIVES OF SULFONIC, PHOSPHONIC AND PHOSPHINIC AMINOALKANE ACIDS, THEIR PRODUCTION AND THEIR USE AS MEDICAMENTS LIPHA (FR) 2000-11-15 EP disclosed
WO-1999037606-A1 NEW DERIVATIVES OF SULFONIC, PHOSPHONIC AND PHOSPHINIC AMINOALKANE ACIDS, THEIR PRODUCTION AND THEIR USE AS MEDICAMENTS LIPHA (FR) 1999-07-29 WO disclosed