SCHEMBL7701248

SCHEMBL7701248

[CH2]OC(c1ccccc1)C(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
RIPK1 Q13546 2/20 0.36
SLC6A4 P31645 3/20 0.36
SLC6A3 Q01959 3/20 0.36
SLC6A2 P23975 2/20 0.36
CASR P41180 1/20 0.36
MAPK1 P28482 1/20 0.34
TAAR1 Q96RJ0 1/20 0.34
AOC3 Q16853 1/20 0.34
CACNA1F O60840 1/20 0.34
CHRM2 P08172 1/20 0.34
CHRM1 P11229 1/20 0.34
ADRA2B P18089 1/20 0.34
CHRM3 P20309 1/20 0.34
ADRA1A P35348 1/20 0.34
HRH1 P35367 1/20 0.34
OPRK1 P41145 1/20 0.34
CACNA1D Q01668 1/20 0.34
KCNH2 Q12809 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
SCHEMBL7438325 0.81 ATM (0.41) ATML3MBTL1RIPK1SLC6A4SLC6A3
SCHEMBL2127629 0.81 ATM (0.41) ATML3MBTL1RIPK1SLC6A4SLC6A3
SCHEMBL11911981 0.79 ATM (0.40) ATML3MBTL1RIPK1SLC6A4SLC6A3
SCHEMBL12344306 0.79 ATM (0.40) ATML3MBTL1RIPK1SLC6A4SLC6A3
SCHEMBL14663964 0.79 ATM (0.40) ATML3MBTL1RIPK1SLC6A4SLC6A3
SCHEMBL705886 0.77 ATM (0.39) ATML3MBTL1RIPK1SLC6A4SLC6A3
SCHEMBL11786688 0.77 ATM (0.43) ATML3MBTL1RIPK1SLC6A4SLC6A3
SCHEMBL21725633 0.76 RIPK1 (0.39) ATML3MBTL1RIPK1SLC6A4SLC6A3
SCHEMBL129959 0.76 ATM (0.38) ATML3MBTL1RIPK1SLC6A4SLC6A3
SCHEMBL21372578 0.72 ATM (0.47) ATML3MBTL1MAPK1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6342501-B1 VIRICIDES THE REGENTS OF THE UNIVERSITY OF MICHIGAN 2002-01-29 US disclosed
WO-2000042043-A1 PYRROLO[2,3-d]PYRIMIDINES AS ANTIVIRAL AGENTS THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2000-07-20 WO disclosed
EP-0746559-A1 PYRROLO(2,3-D)PYRIMIDINE DERIVATIVES AS ANTIVIRALS The Regents of The University of Michigan (US) 1996-12-11 EP disclosed
US-5543413-A VIRAL ACTIVITY AGAINST HUMAN CYTOMEGALOVIRUS AND HERPES SIMPLEX VIRUS REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 1996-08-06 US disclosed
WO-1995023151-A1 PYRROLO(2,3-D)PYRIMIDINE DERIVATIVES AS ANTIVIRALS THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 1995-08-31 WO disclosed