SCHEMBL5411

SCHEMBL5411

C[C](C)C1CCCCCC1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.47
CES1 P23141 1/20 0.47
MGLL Q99685 1/20 0.41
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
NOS2 P35228 1/20 0.38
CTSK P43235 1/20 0.38
TSHR P16473 3/20 0.38
ALDH1A1 P00352 1/20 0.38
RECQL P46063 1/20 0.37
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
LMNA P02545 2/20 0.34
HSD11B1 P28845 3/20 0.33
GAA P10253 2/20 0.33
PKM P14618 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
HSD11B2 P80365 1/20 0.32
SRD5A2 P31213 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
SCHEMBL5131 1.00 CES2 (0.47) CES2CES1MGLLHDAC8HDAC6
SCHEMBL5281 1.00
SCHEMBL9978895 1.00 CES2 (0.47) CES2CES1MGLLHDAC8HDAC6
SCHEMBL269368 0.96
SCHEMBL4389 0.89
SCHEMBL5421 0.81
SCHEMBL673560 0.79 CES2 (0.47) CES2CES1MGLLHDAC8HDAC6
SCHEMBL1858120 0.79 CES2 (0.47) CES2CES1MGLLHDAC8HDAC6
SCHEMBL6265136 0.79 CES2 (0.47) CES2CES1MGLLHDAC8HDAC6
SCHEMBL3870753 0.79 CES2 (0.47) CES2CES1MGLLHDAC8HDAC6

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 104 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2785695-B1 NEW BICYCLIC DIHYDROISOQUINOLINE-1-ONE DERIVATIVES HOFFMANN LA ROCHE (CH) 2020-06-17 EP disclosed
EP-3653618-A1 NEW DIHYDROQUINOLINE-2-ONE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2020-05-20 EP disclosed
EP-2755963-B1 NEW DIHYDROQUINOLINE-2-ONE DERIVATIVES HOFFMANN LA ROCHE (CH) 2019-10-30 EP disclosed
EP-2758388-B1 NEW BICYCLIC DIHYDROQUINOLINE-2-ONE DERIVATIVES HOFFMANN LA ROCHE (CH) 2018-02-21 EP disclosed
CN-104619705-B Non- cyclic thienyl amides as the inhibitor of fatty acid binding protein (FABP) 4 and/or 5 霍夫曼-拉罗奇有限公司 2018-01-02 CN disclosed
EP-2838883-B1 NEW PHENYL-TETRAHYDROISOQUINOLINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2017-11-08 EP disclosed
US-9809599-B2 Aryl-quinoline derivatives HOFFMANN-LA ROCHE INC. (US) 2017-11-07 US disclosed
CN-103958478-B Bicyclic dihydroisoquinolin-1-one derivatives 霍夫曼-拉罗奇有限公司 2017-08-01 CN disclosed
EP-3191459-A1 FUSED HETEROCYCLIC OR CARBOCYCLIC COMPOUNDS CARRYING A SUBSTITUTED CYCLOALIPHATIC RADICAL AND USE THEREOF FOR TREATING VASOPRESSIN-RELATED DISEASES AbbVie Deutschland GmbH & Co. KG (DE) 2017-07-19 EP disclosed
CN-104245674-B Phenyl-tetrahydroisoquinoline derivatives 霍夫曼-拉罗奇有限公司 2017-07-11 CN disclosed
EP-1720064-A1 Radiation-sensitive resin composition JSR Corporation (JP) 2006-11-08 EP disclosed
US-20060234153-A1 Radiation-sensitive resin composition JSR CORPORATION (JP) 2006-10-19 US disclosed
US-20060223001-A1 Radiation-sensitive resin composition JSR CORPORATION (JP) 2006-10-05 US disclosed
EP-1679314-A1 SILANE COMPOUND, POLYSILOXANE AND RADIATION-SENSITIVE RESIN COMPOSITION JSR Corporation (JP) 2006-07-12 EP disclosed
US-20050171226-A1 Radiation sensitive resin composition JSR CORPORATION (JP) 2005-08-04 US disclosed
EP-1557718-A1 RADIATION-SENSITIVE RESIN COMPOSITION JSR Corporation (JP) 2005-07-27 EP disclosed
US-6677419-B1 REACTING STOICHIOMETRIC EXCESS OF UNSATURATED ALICYCLIC MONOMER WITH ANOTHER UNSATURATED MONOMER, HAVING LESS THAN TWO ELECTRON-WITHDRAWING GROUPS APPENDED TO UNSATURATION, IN PRESENCE OF FREE RADICAL INITIATOR INTERNATIONAL BUSINESS MACHINES CORPORATION 2004-01-13 US disclosed
US-20030219680-A1 Photoresists useful for microfabrication utilizing deep ultraviolet rays such as an excimer laser, x-rays such as synchrotron radiation, and electron beams JSR CORPORATION (JP) 2003-11-27 US disclosed
EP-0377139-B1 N-substituted acylamino acid compounds, process for their production and their use BANYU PHARMA CO LTD (JP) 1995-07-12 EP disclosed
EP-0377139-A1 N-substituted acylamino acid compounds, process for their production and their use Banyu Pharmaceutical Co., Ltd. (JP) 1990-07-11 EP disclosed