SCHEMBL5035174

SCHEMBL5035174

COC(=O)CCC(=O)ONCCN

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.54
LMNA P02545 3/20 0.50
KDM4E B2RXH2 1/20 0.50
CA12 O43570 3/20 0.41
CA14 Q9ULX7 3/20 0.41
KMT2A Q03164 2/20 0.39
HSD17B10 Q99714 2/20 0.39
ALDH1A1 P00352 2/20 0.39
MAPT P10636 1/20 0.39
HTT P42858 1/20 0.39
MEN1 O00255 1/20 0.38
CNR2 P34972 2/20 0.36
EPHX2 P34913 1/20 0.35
MGAM O43451 1/20 0.34
GAA P10253 1/20 0.34
SI P14410 1/20 0.34
MGAM2 Q2M2H8 1/20 0.34
CNR1 P21554 1/20 0.34
SLC1A1 P43005 1/20 0.33
CA7 P43166 1/20 0.33

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
SCHEMBL518644 0.91 TSHR (0.38) TSHRLMNAKDM4ECA12CA14
SCHEMBL28465040 0.83 LMNA (0.39) TSHRLMNAKDM4EKMT2AALDH1A1
SCHEMBL28098323 0.83 ALDH1A1 (0.44) TSHRLMNAKDM4ECA12CA14
SCHEMBL2449985 0.83 TSHR (0.42) TSHRLMNAKDM4ECA12CA14
SCHEMBL10836953 0.83 CNR2 (0.45) TSHRLMNACA12CA14KMT2A
Ammonia Solution, Strong SCHEMBL27715413 0.83 CNR2 (0.34) LMNAKDM4ECNR2CNR1
SCHEMBL10627995 0.82 LMNA (0.38) TSHRLMNAKDM4EKMT2AALDH1A1
SCHEMBL28056206 0.82 ALDH1A1 (0.43) TSHRLMNAKDM4ECA12CA14
SCHEMBL888076 0.82 LMNA (0.38) TSHRLMNAKDM4EKMT2AALDH1A1
SCHEMBL2871619 0.82 LMNA (0.38) TSHRLMNAKDM4EKMT2AALDH1A1

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-1984726-A2 METHODS, MIXTURES, KITS AND COMPOSITIONS PERTAINING TO ANALYTE DETERMINATION Applera Corporation (US) 2008-10-29 EP disclosed
WO-2007087534-A2 METHODS, MIXTURES, KITS AND COMPOSITIONS PERTAINING TO ANALYTE DETERMINATION APPLERA CORPORATION (US) 2007-08-02 WO disclosed