SCHEMBL7703347

SCHEMBL7703347

COC(=O)C1=Cc2cccc(C(=O)N(C)C)c2OCC1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA12 O43570 4/20 0.44
CA9 Q16790 4/20 0.44
KMT2A Q03164 3/20 0.38
PARP1 P09874 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
POLB P06746 1/20 0.35
MAPT P10636 1/20 0.35
HTT P42858 1/20 0.35
ALOX5 P09917 1/20 0.35
NR1H4 Q96RI1 1/20 0.35
MEN1 O00255 2/20 0.35
TRPA1 O75762 3/20 0.34
ALDH1A1 P00352 2/20 0.34
TP53 P04637 1/20 0.33
MAPK14 Q16539 1/20 0.32
CXCR2 P25025 1/20 0.32
KDM4E B2RXH2 1/20 0.32

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
SCHEMBL7695330 0.86 CA12 (0.46) CA12CA9KMT2APARP1SMN1; SMN2
SCHEMBL7696929 0.80 CA12 (0.47) CA12CA9KMT2APARP1SMN1; SMN2
SCHEMBL7386387 0.80 CA12 (0.63) CA12CA9KMT2ASMN1; SMN2NPC1
SCHEMBL7700026 0.80 CA12 (0.43) CA12CA9KMT2ASMN1; SMN2NPC1
SCHEMBL7700005 0.79 CA12 (0.46) CA12CA9KMT2ASMN1; SMN2NPC1
SCHEMBL7702855 0.79 CA12 (0.46) CA12CA9KMT2ASMN1; SMN2NPC1
SCHEMBL7699846 0.78 TSHR (0.46) CA12CA9KMT2APARP1SMN1; SMN2
SCHEMBL7701049 0.77 PARP1 (0.35) KMT2APARP1ALOX5MAPK14
SCHEMBL7701052 0.77 PARP1 (0.33) PARP1MAPK14
SCHEMBL7700010 0.77 CA12 (0.46) CA12CA9KMT2ASMN1; SMN2NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6346527-B1 1-BENZOXEPIN DERIVATIVES USED IN THE PREVENTION OF SODIUM AND HYDROGEN ION EXCHANGE; CARDIOVASCULAR, KIDNEY AND BRAIN DISORDER TREATMENT; ARTERIOSCLEROSIS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-02-12 US disclosed
EP-1073650-A1 GUANIDINE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-02-07 EP disclosed
WO-1999055690-A1 GUANIDINE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1999-11-04 WO disclosed