SCHEMBL995553

SCHEMBL995553

CC(=O)N1C(C)(C)CC(CC(=O)O)CC1(C)C

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A1 P30531 2/20 0.33
GABRA5 P31644 2/20 0.33
GABRB2 P47870 2/20 0.33
SLC6A12 P48065 2/20 0.33
SLC6A11 P48066 2/20 0.33
SLC6A13 Q9NSD5 2/20 0.33
GRM2 Q14416 2/20 0.33
ALDH1A1 P00352 1/20 0.33
POLB P06746 1/20 0.33
MAPT P10636 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
GRM5 P41594 1/20 0.33
GRM1 Q13255 1/20 0.33
GABRA1 P14867 1/20 0.33
GABRR1 P24046 1/20 0.33
GABRA4 P48169 1/20 0.33
ESR1 P03372 1/20 0.33
LMNA P02545 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
CYP1A2 P05177 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
SCHEMBL11586258 0.80 CYP2C19 (0.37) SLC6A1GABRA5GABRB2SLC6A12SLC6A11
SCHEMBL316381 0.80 GAA (0.39) SLC6A1GABRA5GABRB2SLC6A12SLC6A11
SCHEMBL7938014 0.80 SLC6A12 (0.35) SLC6A1GABRA5GABRB2SLC6A12SLC6A11
SCHEMBL17709929 0.74 APLNR (0.48) SLC6A1GABRA5GABRB2SLC6A12SLC6A11
SCHEMBL20572948 0.74 SLC6A12 (0.40) SLC6A1GABRA5GABRB2SLC6A12SLC6A11
SCHEMBL2454323 0.73 HPGD (0.57) ALDH1A1LMNACYP2C19MAPK1SMN1; SMN2
SCHEMBL11525197 0.73 ESR1 (0.40) ALDH1A1MAPTESR1LMNAL3MBTL1
SCHEMBL15231650 0.73 SLC6A12 (0.39) SLC6A1GABRA5GABRB2SLC6A12SLC6A11
SCHEMBL7519998 0.73 SMN1; SMN2 (0.40) ESR1LMNAL3MBTL1MAPK1SMN1; SMN2
SCHEMBL3003968 0.71 APLNR (0.39) SLC6A1GABRA5GABRB2SLC6A12SLC6A11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2413697-B1 STABILISATION OF COMPOUNDS CONTAINING IODINE LANXESS DEUTSCHLAND GMBH (DE) 2017-11-08 EP disclosed
EP-2779830-B1 STABILIZATION OF COMPOUNDS CONTAINING IODINE HAVING POLYMERS COMPRISING NITROGEN LANXESS DEUTSCHLAND GMBH (DE) 2017-05-17 EP disclosed
EP-2831160-B1 STABLE COMPOSITIONS OF THIABENDAZOLE AND IODINE-CONTAINING FUNGICIDES LANXESS DEUTSCHLAND GMBH (DE) 2016-03-23 EP disclosed
EP-2831161-B1 FUNGICIDE FORMULATIONS FOR PLASTICIZED PVC LANXESS DEUTSCHLAND GMBH (DE) 2015-11-18 EP disclosed
EP-2831161-A1 FUNGICIDE FORMULATIONS FOR PLASTICIZED PVC Lanxess Deutschland GmbH (DE) 2015-02-04 EP disclosed
US-8922889-B2 Cellulose acylate film, protective film for polarizing plate, polarizing plate, and liquid crystal display device FUJIFILM CORPORATION (JP) 2014-12-30 US disclosed
EP-2779830-A1 STABILIZATION OF COMPOUNDS CONTAINING IODINE HAVING POLYMERS COMPRISING NITROGEN LANXESS Deutschland GmbH (DE) 2014-09-24 EP disclosed
WO-2013144147-A1 FUNGICIDE FORMULATIONS FOR PLASTICIZED PVC LANXESS DEUTSCHLAND GMBH (DE) 2013-10-03 WO disclosed
WO-2013072427-A1 STABILIZATION OF COMPOUNDS CONTAINING IODINE HAVING POLYMERS COMPRISING NITROGEN LANXESS DEUTSCHLAND GMBH (DE) 2013-05-23 WO disclosed
EP-2594132-A1 Stabilisation of iodine containing compounds with polymers containing nitrogen Lanxess Deutschland GmbH (DE) 2013-05-22 EP disclosed
EP-0016723-B1 LIGHT STABILISATION OF TWO-LAYER COMPOSITE LACQUERS CIBA-GEIGY AG (CH) 1983-06-01 EP disclosed
EP-0015230-B1 STABILIZED ORGANIC POLYMER COMPRISING 2-(2-HYDROXY-3,5-DI-TERT-OCTYLPHENYL)-2H-BENZOTRIAZOLE AS A LIGHT-STABILIZER CIBA-GEIGY AG (CH) 1983-02-23 EP disclosed
EP-0006213-B1 LIGHT STABILIZATION OF ACID CATALYSED STOVING ENAMELS CIBA-GEIGY AG (CH) 1982-09-01 EP disclosed
US-4315848-A PROTECTIVE COATING FOR AUTOMOBILES CIBA-GEIGY CORPORATION (US) 1982-02-16 US disclosed
US-4278589-A 2-[2-Hydroxy-3,5-di-(α,α-dimethylbenzyl)phenyl]-2H-benzotriazole and stabilized compositions CIBA-GEIGY CORPORATION (US) 1981-07-14 US disclosed
US-4278590-A AUTOMOBILE FINISHES CIBA-GEIGY CORPORATION (US) 1981-07-14 US disclosed
EP-0016723-A1 Light stabilisation of two-layer composite lacquers CIBA-GEIGY AG (CH) 1980-10-01 EP disclosed
EP-0015230-A1 Stabilized organic Polymer comprising 2-(2-hydroxy-3,5-di-tert-octylphenyl)-2H-benzotriazole as a light-stabilizer CIBA-GEIGY AG (CH) 1980-09-03 EP disclosed
EP-0006213-A1 Light stabilization of acid catalysed stoving enamels CIBA-GEIGY AG (CH) 1980-01-09 EP disclosed
EP-0006564-A2 2-(3.5-disubstituted-2-hydroxyphenyl)-2H-benzotriazoles and stabilized compositions containing them CIBA-GEIGY AG (CH) 1980-01-09 EP disclosed