SCHEMBL7084580

SCHEMBL7084580

CC(C(CS(=O)(=O)O)N1CCN(CCO)CC1)S(=O)(=O)O

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.41
CHRM1 P11229 1/20 0.41
ALDH1A1 P00352 3/20 0.35
POLB P06746 1/20 0.33
KDM4E B2RXH2 1/20 0.33
LMNA P02545 1/20 0.32
HTT P42858 1/20 0.32
KMT2A Q03164 1/20 0.32
OPRD1 P41143 1/20 0.31
MAPT P10636 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
RORC P51449 1/20 0.30

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
SCHEMBL4606042 0.81 CHRM2 (0.45) CHRM2CHRM1ALDH1A1POLBKDM4E
SCHEMBL3911963 0.78 CHRM2 (0.39) CHRM2CHRM1ALDH1A1POLBKDM4E
SCHEMBL64211 0.77 CHRM2 (0.47) CHRM2CHRM1ALDH1A1POLBKDM4E
SCHEMBL15512007 0.76 KDM4E (0.42) CHRM2CHRM1ALDH1A1KDM4ERORC
SCHEMBL1827043 0.76 CHRM2 (0.41) CHRM2CHRM1ALDH1A1POLBKDM4E
SCHEMBL5062396 0.76 CHRM2 (0.40) CHRM2CHRM1ALDH1A1KDM4ELMNA
SCHEMBL22345800 0.76 CHRM2 (0.46) CHRM2CHRM1ALDH1A1POLBKDM4E
SCHEMBL3178617 0.76 CHRM2 (0.46) CHRM2CHRM1ALDH1A1POLBKDM4E
SCHEMBL3089652 0.74 CHRM2 (0.39) CHRM2CHRM1ALDH1A1POLBKDM4E
SCHEMBL27831166 0.74 CHRM2 (0.45) CHRM2CHRM1ALDH1A1POLBKDM4E

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
US-20030203357-A1 Mixed cell diagnostic systems HUANG YUNG T (US) 2003-10-30 US disclosed