SCHEMBL42565

SCHEMBL42565

[CH2]CCOC(=O)C1CCCCC1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.45
CES2 O00748 1/20 0.41
CES1 P23141 1/20 0.41
ADRB2 P07550 1/20 0.39
ADRB1 P08588 1/20 0.39
ADRB3 P13945 1/20 0.39
MAPT P10636 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
HTT P42858 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
FKBP1A P62942 1/20 0.36

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
SCHEMBL8582641 1.00 ALDH1A1 (0.45) ALDH1A1CES2CES1ADRB2ADRB1
SCHEMBL3733393 0.98 ALDH1A1 (0.42) ALDH1A1CES2CES1ADRB2ADRB1
SCHEMBL3152801 0.94 SMN1; SMN2 (0.41) ALDH1A1ADRB2ADRB1ADRB3MAPT
SCHEMBL9034576 0.89
SCHEMBL2907680 0.88 ALDH1A1 (0.42) ALDH1A1CES2CES1ADRB2ADRB1
SCHEMBL8584529 0.88 ALDH1A1 (0.42) ALDH1A1CES2CES1ADRB2ADRB1
SCHEMBL8845363 0.87 ALDH1A1 (0.50) ALDH1A1CES2CES1ADRB2ADRB1
SCHEMBL205737 0.87 ALDH1A1 (0.50) ALDH1A1CES2CES1ADRB2ADRB1
SCHEMBL2835530 0.86 ALDH1A1 (0.41) ALDH1A1CES2CES1ADRB2ADRB1
SCHEMBL3733817 0.86 ADRB2 (0.41) ALDH1A1CES2CES1ADRB2ADRB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3681871-A1 COMPOSITIONS AND METHODS FOR TREATING BRAIN INJURY Azevan Pharmaceuticals, Inc. (US) 2020-07-22 EP disclosed
US-20200071617-A1 LIQUID CRYSTAL DISPLAY ELEMENT DIC CORPORATION (JP) 2020-03-05 US disclosed
WO-2019055913-A1 COMPOSITIONS AND METHODS FOR TREATING BRAIN INJURY AZEVAN PHARMACEUTICALS, INC. (US) 2019-03-21 WO disclosed
WO-2018165266-A1 COMPOSITIONS AND METHODS FOR TREATING DRY EYE DISEASES CEMPRA PHARMACEUTICALS, INC. (US) 2018-09-13 WO disclosed
EP-3122743-A1 COMPOSITIONS AND METHODS FOR TREATING NEURODEGENERATIVE DISEASES Azevan Pharmaceuticals, Inc. (US) 2017-02-01 EP disclosed
EP-3105234-A1 COMPOSITIONS AND METHODS FOR TREATING DIABETES AND LIVER DISEASES Cempra Pharmaceuticals, Inc. (US) 2016-12-21 EP disclosed
WO-2016153874-A1 COMPOSITIONS AND METHODS FOR TREATING PARKINSON'S DISEASE PURDUE RESEARCH FOUNDATION (US) 2016-09-29 WO disclosed
EP-3003303-A1 PPAR GAMMA MODULATORS FOR TREATING CYSTIC DISEASES Indiana University Research And Technology Corporation (US) 2016-04-13 EP disclosed
EP-2968801-A1 METHODS FOR TREATING RESPIRATORY DISEASES AND FORMULATIONS THEREFOR Cempra Pharmaceuticals, Inc. (US) 2016-01-20 EP disclosed
EP-2961764-A1 PROCESSES FOR PREPARING TUBULYSINS Endocyte, Inc. (US) 2016-01-06 EP disclosed
WO-1997030027-A1 BETA-THIOPROPIONYL-AMINOACID DERIVATIVES AND THEIR USE AS BETA-LACTAMASE INHIBITORS SMITHKLINE BEECHAM PLC (GB) 1997-08-21 WO disclosed
WO-1997010225-A1 PYRROLIDINE AND THIAZOLE DERIVATIVES WITH ANTIBACTERIAL AND METALLO-BETA-LACTAMASE INHIBITORY PROPERTIES SMITHKLINE BEECHAM PLC (GB) 1997-03-20 WO disclosed
EP-0758240-A1 PHARMACEUTICAL FORMULATIONS CONTAINING A BETA-LACTAMASE INHIBITING PENEM IN COMBINATION WITH A BETA-LACTAM ANTIBIOTIC AND THEIR USE IN THE TREATMENT OF BACTERIAL INFECTIONS SMITHKLINE BEECHAM PLC (GB) 1997-02-19 EP disclosed
WO-1996017847-A1 PROCESS FOR THE PREPARATION OF CEPHALOSPORINS AND ANALOGUES PFIZER INC. (US) 1996-06-13 WO disclosed
EP-0689540-A1 CARBACEPHALOSPORIN COMPOUND, THEIR PREPARATION AND USE PFIZER INC. (US) 1996-01-03 EP disclosed
EP-0651755-A1 CEPHALOSPORINS AND 1-CARBA-1-DETHIA CEPHALOSPORINS PFIZER INC. (US) 1995-05-10 EP disclosed
WO-1994021633-A1 CARBACEPHALOSPORIN COMPOUND, THEIR PREPARATION AND USE SMITHKLINE BEECHAM PLC (GB) 1994-09-29 WO disclosed
EP-0211656-A2 Cephalosporin derivatives, process for their preparation and pharmaceutical compositions containing them BEECHAM GROUP PLC (GB) 1987-02-25 EP disclosed
EP-0210815-A2 6-Beta-(alpha-etherified oxyimino)-acylamino penicillanic-acid derivatives, their preparation and use BEECHAM GROUP PLC (GB) 1987-02-04 EP disclosed
US-4477447-A ANTIBIOTIC, BACTERICIDE FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1984-10-16 US disclosed