SCHEMBL12299484

SCHEMBL12299484

CSCCC(C(=O)O)[S+](C)[O-]

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RNPEP Q9H4A4 1/20 0.48
FOLH1 Q04609 2/20 0.38
LMNA P02545 1/20 0.34
CA2 P00918 2/20 0.33
ANPEP P15144 1/20 0.33
ENPEP Q07075 1/20 0.33
CA1 P00915 1/20 0.33
RAB9A P51151 1/20 0.33
ALDH1A1 P00352 2/20 0.32
KDM4E B2RXH2 2/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
NPSR1 Q6W5P4 1/20 0.32
RXFP1 Q9HBX9 1/20 0.31
POLB P06746 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
SCHEMBL12261570 0.84 RNPEP (0.39) RNPEPFOLH1ANPEPENPEPALDH1A1
SCHEMBL4956698 0.75 RNPEP (0.62) RNPEPFOLH1LMNACA2ANPEP
Racemethionine SCHEMBL2416706 0.74 BHMT (0.49) RNPEP
Methionine SCHEMBL2416707 0.74 BHMT (0.49) RNPEP
SCHEMBL31422472 0.73
SCHEMBL9567265 0.73
Racemethionine SCHEMBL23113875 0.73 BHMT (0.47) RNPEP
SCHEMBL20496304 0.72 LMNA (0.44) RNPEPFOLH1LMNACA2CA1
SCHEMBL8592581 0.72 CHRM1 (0.33) CA2
Racemethionine SCHEMBL23647354 0.71 BHMT (0.49) RNPEP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011117749-A1 COMPOUND AND METHOD FOR THE TREATMENT OF PAIN KANDULA MAHESH (IN) 2011-09-29 WO disclosed