SCHEMBL623987

SCHEMBL623987

CCCCOC(=O)N1CCC(COc2cccc(CS(N)(=O)=O)c2C#N)C1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RBP4 P02753 3/20 0.38
MMP13 P45452 3/20 0.37
MMP3 P08254 2/20 0.37
MMP9 P14780 2/20 0.37
MMP2 P08253 1/20 0.37
MMP8 P22894 1/20 0.37
MMP1 P03956 1/20 0.36
MMP7 P09237 1/20 0.36
P2RY12 Q9H244 5/20 0.36
CHRM2 P08172 1/20 0.36
CHRM1 P11229 1/20 0.36
HRH2 P25021 1/20 0.35
HRH1 P35367 1/20 0.35
F2 P00734 1/20 0.34
NPC1 O15118 1/20 0.34
ALDH1A1 P00352 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
DGAT1 O75907 1/20 0.34
PDE4B Q07343 1/20 0.34

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
SCHEMBL620861 0.85 SCN9A (0.44) RBP4
SCHEMBL30624457 0.74 GPR119 (0.41) RBP4MMP13MMP3MMP9MMP1
SCHEMBL2488001 0.72 RBP4 (0.44) RBP4F2PDE4B
SCHEMBL28451352 0.71 TGFBR1 (0.48) RBP4
SCHEMBL618465 0.71 RBP4 (0.47) RBP4F2PDE4B
SCHEMBL618608 0.71 RBP4 (0.48) RBP4F2
SCHEMBL31670305 0.71 ALOX5AP (0.47) RBP4ALDH1A1
SCHEMBL621284 0.71 ALOX5AP (0.47) RBP4ALDH1A1
SCHEMBL621999 0.70 RBP4 (0.43) RBP4F2SMN1; SMN2
SCHEMBL4194134 0.69 SMN1; SMN2 (0.45) MMP13MMP3MMP9MMP2MMP8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2603098-A2 METHOD OF IMPROVING STABILITY OF SWEET ENHANCER AND COMPOSITION CONTAINING STABILIZED SWEET ENHANCER Senomyx, Inc. (US) 2013-06-19 EP disclosed
WO-2012021837-A2 METHOD OF IMPROVING STABILITY OF SWEET ENHANCER AND COMPOSITION CONTAINING STABILIZED SWEET ENHANCER SENOMYX, INC. (US) 2012-02-16 WO disclosed