SCHEMBL5176709

SCHEMBL5176709

O=C(O)C1(OCc2ccccc2)CCC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.44
SLC1A3 P43003 2/20 0.44
SLC1A2 P43004 2/20 0.44
SLC1A1 P43005 2/20 0.44
MEN1 O00255 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
ALDH1A1 P00352 3/20 0.43
TSHR P16473 2/20 0.43
MAPK1 P28482 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
SLC6A2 P23975 1/20 0.42
SLC6A3 Q01959 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
SLC16A3 O15427 1/20 0.41
SLC16A1 P53985 1/20 0.41
MCTS1 Q9ULC4 1/20 0.41
DDB1 Q16531 1/20 0.40

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
SCHEMBL4036434 0.93 KMT2A (0.46) KMT2ASLC1A3SLC1A2SLC1A1MEN1
SCHEMBL16057453 0.86 KMT2A (0.51) KMT2ASLC1A3SLC1A2SLC1A1MEN1
SCHEMBL19745328 0.83 SLC1A3 (0.45) KMT2ASLC1A3SLC1A2SLC1A1MEN1
SCHEMBL4966883 0.82 ALDH1A1 (0.41) KMT2ASLC1A3SLC1A2SLC1A1MEN1
SCHEMBL30769298 0.82 MAOB (0.52) ALDH1A1TSHR
SCHEMBL31721388 0.81 MEN1 (0.40) KMT2ASLC1A3SLC1A2SLC1A1MEN1
SCHEMBL26409703 0.81 KMT2A (0.45) KMT2ASLC1A3SLC1A2SLC1A1MEN1
SCHEMBL21830230 0.79 APP (0.39) KMT2ASLC1A3SLC1A2SLC1A1MEN1
SCHEMBL4038161 0.79 KMT2A (0.47) KMT2ASLC1A3SLC1A2SLC1A1MEN1
SCHEMBL7449956 0.78 SMN1; SMN2 (0.49) CYP2D6CYP2C9CYP2C19ALDH1A1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3768660-A1 MODULATORS OF EUKARYOTIC INITIATION FACTOR 2 Denali Therapeutics Inc. (US) 2021-01-27 EP disclosed
WO-2019183589-A1 MODULATORS OF EUKARYOTIC INITIATION FACTOR 2 DENALI THERAPEUTICS INC. (US) 2019-09-26 WO disclosed
EP-3325449-A1 COMPOUNDS GlaxoSmithKline Intellectual Property Development Limited (GB) 2018-05-30 EP disclosed
WO-2017012576-A1 COMPOUNDS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2017-01-26 WO disclosed
EP-1781640-A1 2,4-DI(AMINOPHENYL)PYRIMIDINE DERIVATIVES AS PLK INHIBITORS Boehringer Ingelheim International GmbH (DE) 2007-05-09 EP disclosed
WO-2006021544-A1 2,4-DI(AMINOPHENYL) PYRIMIDINES AS PLK INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-03-02 WO disclosed
EP-0352013-B1 Hydroxymethyl cyclobutyl purines SQUIBB & SONS INC (US) 1996-05-01 EP disclosed
US-5369098-A Viricides E. R. SQUIBB & SONS, INC. (US) 1994-11-29 US disclosed
EP-0352013-A2 Hydroxymethyl cyclobutyl purines E.R. Squibb & Sons, Inc. (US) 1990-01-24 EP disclosed