SCHEMBL19204868

SCHEMBL19204868

CC(C)(C)OC(=O)NC1(C(=O)O)CC=CCC1

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 1/20 0.33
MEN1 O00255 1/20 0.33
MAPK1 P28482 1/20 0.33
KMT2A Q03164 1/20 0.33
APLNR P35414 1/20 0.32
NFKB1 P19838 1/20 0.31
NFKB2 Q00653 1/20 0.31
RELA Q04206 1/20 0.31
GAA P10253 1/20 0.31
BTK Q06187 1/20 0.31
CTSL P07711 1/20 0.30
AKT1 P31749 2/20 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
SCHEMBL1157610 0.89 KMT2A (0.36) GHSRMEN1MAPK1KMT2AAPLNR
SCHEMBL27969652 0.83 GHSR (0.35) GHSRMEN1MAPK1KMT2AAPLNR
SCHEMBL142219 0.80 MEN1 (0.39) GHSRMEN1MAPK1KMT2AAPLNR
SCHEMBL1088061 0.79 MEN1 (0.36) GHSRMEN1MAPK1KMT2AAPLNR
SCHEMBL8585865 0.78 KDM4E (0.34) KMT2A
SCHEMBL202837 0.77 BTK (0.38) GHSRMEN1MAPK1KMT2AAPLNR
SCHEMBL76966 0.77 BTK (0.38) GHSRMEN1MAPK1KMT2AAPLNR
Hydrochloric Acid SCHEMBL23852069 0.77 MEN1 (0.33) GHSRMEN1MAPK1KMT2AAPLNR
SCHEMBL1012064 0.76 FAAH (0.39) GHSRMEN1MAPK1KMT2AGAA
SCHEMBL8980908 0.76 FAAH (0.39) GHSRMEN1MAPK1KMT2AGAA

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
WO-2017133658-A1 4, 7-DIAZAINDOLE AND 4, 7-DIAZAINDAZOLE DERIVATIVES AND THEIR USE IN THE TREATMENT, AMELIORATION OR PREVENTION OF INFLUENZA SAVIRA PHARMACEUTICALS GMBH (AT) 2017-08-10 WO disclosed
WO-2017133667-A1 PYRIMIDINE AND PYRIDINE DERIVATIVES AND USE IN TREATMENT, AMELIORATION OR PREVENTION OF INFLUENZA THEREOF SAVIRA PHARMACEUTICALS GMBH (AT) 2017-08-10 WO disclosed
WO-2017133669-A1 5, 7-DIAZAINDOLE AND 5, 7-DIAZAINDAZOLE DERIVATIVES AND THEIR USE IN THE TREATMENT, AMELIORATION OR PREVENTION OF INFLUENZA SAVIRA PHARMACEUTICALS GMBH (AT) 2017-08-10 WO disclosed