SCHEMBL2014943

SCHEMBL2014943

O=C(O)COc1c(CCl)cccc1CCl

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.61
CD69 Q07108 4/20 0.55
ALOX15 P16050 1/20 0.48
L3MBTL1 Q9Y468 2/20 0.45
LMNA P02545 1/20 0.43
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
HPGD P15428 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
HIF1A Q16665 1/20 0.42
POLB P06746 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
GLA P06280 1/20 0.42
MEN1 O00255 1/20 0.41
PTPN7 P35236 1/20 0.41
FFAR1 O14842 1/20 0.41
MAPT P10636 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
SCHEMBL9545380 0.82 KMT2A (0.58) KMT2ACD69ALOX15L3MBTL1LMNA
SCHEMBL4300659 0.79 L3MBTL1 (0.65) KMT2AALOX15L3MBTL1KDM4EALDH1A1
SCHEMBL3729436 0.76 KMT2A (1.00) KMT2ACD69ALOX15LMNAKDM4E
SCHEMBL9646424 0.76 KMT2A (0.66) KMT2ACD69ALOX15L3MBTL1LMNA
SCHEMBL14193733 0.75 L3MBTL1 (0.59) KMT2ACD69ALOX15L3MBTL1KDM4E
SCHEMBL1145948 0.74 KMT2A (0.62) KMT2ACD69ALOX15L3MBTL1LMNA
SCHEMBL7752635 0.73 FABP4 (0.60) KMT2ACD69ALOX15L3MBTL1KDM4E
SCHEMBL6743196 0.72 KMT2A (0.60) KMT2ACD69ALOX15L3MBTL1LMNA
SCHEMBL20509584 0.72 KMT2A (0.60) KMT2ACD69ALOX15L3MBTL1LMNA
SCHEMBL22191169 0.72 KMT2A (0.60) KMT2ACD69ALOX15L3MBTL1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2970504-A1 NEUROACTIVE STEROIDS, COMPOSITIONS, AND USES THEREOF Sage Therapeutics, Inc. (US) 2016-01-20 EP disclosed
EP-2958895-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF Kala Pharmaceuticals, Inc. (US) 2015-12-30 EP disclosed
EP-2956138-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF Kala Pharmaceuticals, Inc. (US) 2015-12-23 EP disclosed
EP-2303888-B1 COMPOUNDS FOR ANTIMICROBIAL INTERVENTION HARVARD COLLEGE (US) 2015-05-06 EP disclosed
EP-2831079-A1 BICYCLIC HETEROCYCLIC DERIVATIVES AS MNK1 AND MNK2 MODULATORS AND USES THEREOF Agency For Science, Technology And Research (SG) 2015-02-04 EP disclosed
WO-2014160441-A1 NEUROACTIVE STEROIDS, COMPOSITIONS, AND USES THEREOF SAGE THERAPEUTICS, INC. (US) 2014-10-02 WO disclosed
WO-2014130612-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF KALA PHARMACEUTICALS, INC. (US) 2014-08-28 WO disclosed
WO-2014127214-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF KALA PHARMACEUTICALS, INC. (US) 2014-08-21 WO disclosed
WO-2013147711-A1 BICYCLIC HETEROCYCLIC DERIVATIVES AS MNK1 AND MNK2 MODULATORS AND USES THEREOF AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2013-10-03 WO disclosed
EP-2512386-A1 A GASTROINTESTINAL IMPLANT DEVICE Vysera Biomedical Limited (IE) 2012-10-24 EP disclosed
EP-2370436-A1 AZAQUINOLINONE DERIVATIVES AND USES THEREOF Link Medicine Corporation (US) 2011-10-05 EP disclosed
WO-2011073970-A1 A GASTROINTESTINAL IMPLANT DEVICE VYSERA BIOMEDICAL LIMITED (IE) 2011-06-23 WO disclosed
WO-2010057006-A9 AZAQUINOLINONE DERIVATIVES AND USES THEREOF LINK MEDICINE CORPORATION (US) 2010-09-16 WO disclosed
WO-2010057006-A1 AZAQUINOLINONE DERIVATIVES AND USES THEREOF LINK MEDICINE CORPORATION (US) 2010-05-20 WO disclosed
US-6395745-B1 STABLE, CRYSTAL STRUCTURE; PLANT EXTRACT GLYCODESIGN, INC. (CA) 2002-05-28 US disclosed