SCHEMBL3255333

SCHEMBL3255333

CC(=O)N1CCN(Cc2coc3ccc(O)cc3c2=O)CC1

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.58
TSHR P16473 2/20 0.58
RAB9A P51151 1/20 0.55
HSD17B10 Q99714 1/20 0.53
KDM4E B2RXH2 1/20 0.49
SIGMAR1 Q99720 2/20 0.49
HTR1A P08908 1/20 0.44
P4HB P07237 1/20 0.44
HRH3 Q9Y5N1 1/20 0.42
PARP1 P09874 1/20 0.41
PARP2 Q9UGN5 1/20 0.41
MAOB P27338 2/20 0.41
TNF P01375 1/20 0.41
MAOA P21397 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL3255205 0.91 ALDH1A1 (0.49) ALDH1A1TSHRRAB9AHSD17B10KDM4E
SCHEMBL13304673 0.90 ALDH1A1 (0.57) ALDH1A1TSHRRAB9AHSD17B10KDM4E
SCHEMBL13856761 0.88 ALDH1A1 (0.74) ALDH1A1TSHRRAB9AHSD17B10KDM4E
SCHEMBL3252274 0.87 ALDH1A1 (0.76) ALDH1A1TSHRRAB9AHSD17B10KDM4E
SCHEMBL3252433 0.84 ALDH1A1 (0.57) ALDH1A1TSHRRAB9AHSD17B10KDM4E
SCHEMBL3253325 0.83 ALDH1A1 (0.56) ALDH1A1TSHRRAB9AHSD17B10KDM4E
SCHEMBL3257338 0.82 ALDH1A1 (0.77) ALDH1A1TSHRRAB9AHSD17B10KDM4E
SCHEMBL13304409 0.81 ALDH1A1 (0.48) ALDH1A1TSHRRAB9AHSD17B10KDM4E
SCHEMBL13304768 0.78 ALDH1A1 (0.50) ALDH1A1TSHRRAB9AHSD17B10KDM4E
SCHEMBL3251466 0.74 MAOA (0.51) ALDH1A1TSHRRAB9AHSD17B10KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1890672-B1 USE OF CHROMONE DERIVATIVES MERCK PATENT GMBH (DE) 2010-06-02 EP disclosed
EP-1890672-B1 USE OF CHROMONE DERIVATIVES MERCK PATENT GMBH (DE) 2010-06-02 EP disclosed
EP-1890672-A1 USE OF CHROMONE DERIVATIVES Merck Patent GmbH (DE) 2008-02-27 EP disclosed
WO-2006128562-A1 USE OF CHROMONE DERIVATIVES MERCK PATENT GMBH (DE) 2006-12-07 WO disclosed