SCHEMBL15512007

SCHEMBL15512007

CC(C(CC(N1CCN(CCO)CC1)S(=O)(=O)O)N1CCOCC1)S(=O)(=O)O

nearest known ligand 0.42

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
CHRM2 P08172 1/20 0.36
CHRM1 P11229 1/20 0.36
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
SCHEMBL7084580 0.76 CHRM2 (0.41) KDM4EALDH1A1CHRM2CHRM1RORC
SCHEMBL126114 0.72 CHRM2 (0.42) KDM4EALDH1A1CHRM2CHRM1RORC
SCHEMBL5062392 0.72 CHRM2 (0.40) KDM4EALDH1A1CHRM2CHRM1RORC
SCHEMBL11127352 0.72 ALDH1A1 (0.62) KDM4EALDH1A1CHRM2CHRM1
SCHEMBL2490415 0.71 CHRM2 (0.40) KDM4EALDH1A1CHRM2CHRM1RORC
SCHEMBL4239133 0.71 KMT2A (0.43) KDM4EALDH1A1CHRM2CHRM1
SCHEMBL22345800 0.71 CHRM2 (0.46) KDM4EALDH1A1CHRM2CHRM1RORC
SCHEMBL9243662 0.71 ALDH1A1 (0.51) KDM4EALDH1A1CHRM2CHRM1RORC
SCHEMBL129496 0.70 CHRM2 (0.40) KDM4EALDH1A1CHRM2CHRM1RORC
SCHEMBL3911963 0.70 CHRM2 (0.39) KDM4EALDH1A1CHRM2CHRM1RORC

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-8669240-B2 Biological specimen collection and transport system and method of use LONGHORN VACCINES & DIAGNOSTICS, LLC (US) 2014-03-11 US claimed