SCHEMBL3521745

SCHEMBL3521745

Cc1cc(N)ccc1C(=O)C(O)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.47
CES2 O00748 1/20 0.47
CES1 P23141 1/20 0.47
ALDH1A1 P00352 4/20 0.45
KDM4E B2RXH2 2/20 0.45
MAPT P10636 4/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
MAPK1 P28482 1/20 0.43
ADRB2 P07550 1/20 0.40
ADRB1 P08588 1/20 0.40
ADRB3 P13945 1/20 0.40
HPGD P15428 1/20 0.40
CPN1 P15169 1/20 0.39
CPB2 Q96IY4 1/20 0.39
CYP3A4 P08684 2/20 0.39
GAA P10253 1/20 0.39
ESR2 Q92731 1/20 0.39
PTPN1 P18031 1/20 0.39

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
SCHEMBL8150588 0.84 LMNA (0.50) LMNACES2CES1ALDH1A1KDM4E
SCHEMBL5821227 0.83 LMNA (0.49) LMNACES2CES1ALDH1A1KDM4E
SCHEMBL28128581 0.81 CES2 (0.47) LMNACES2CES1ALDH1A1KDM4E
SCHEMBL11383664 0.81 LMNA (0.47) LMNACES2CES1ALDH1A1KDM4E
SCHEMBL19952905 0.81 CES2 (0.47) LMNACES2CES1ALDH1A1KDM4E
SCHEMBL17709653 0.81 ALDH1A1 (0.60) LMNACES2CES1ALDH1A1KDM4E
SCHEMBL387303 0.80 LMNA (0.57) LMNACES2CES1ALDH1A1KDM4E
SCHEMBL8768406 0.79 LMNA (0.45) LMNACES2CES1ALDH1A1KDM4E
SCHEMBL27466007 0.78 LMNA (0.47) LMNACES2CES1ALDH1A1KDM4E
SCHEMBL27489899 0.78 CES2 (0.47) LMNACES2CES1ALDH1A1KDM4E

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
CN-109897088-A Phenylalanine derivative and the preparation method and application thereof containing N- (2- oxoethyl) benzsulfamide 山东大学 2019-06-18 CN claimed
CN-109836477-A Phenylalanine derivative and the preparation method and application thereof containing benzothiadiazine -3- ketone 1,1- dioxide 山东大学 2019-06-04 CN claimed
CN-109824756-A Contain 4-(benzenesulfonyl) phenylalanine derivative and the preparation method and application thereof of piperazine -2- ketone 山东大学 2019-05-31 CN claimed
CN-109928890-A A kind of preparation method of tolvaptan intermediate 2- methyl -4-N- (2- toluyl) benzoic acid 重庆常捷医药有限公司 2019-06-25 CN disclosed
CN-109824756-A Contain 4-(benzenesulfonyl) phenylalanine derivative and the preparation method and application thereof of piperazine -2- ketone 山东大学 2019-05-31 CN disclosed
CN-109796418-A Phenylalanine derivative and the preparation method and application thereof containing 4- phenyl -1,2,3- triazole 山东大学 2019-05-24 CN disclosed
CN-107433198-A NMPA gentle Fast back-projection algorithm and Pd@RGO catalyst 重庆大学 2017-12-05 CN disclosed
US-7709550-B2 Ink composition, inkjet recording method, printed material, process for producing lithographic printing plate, and lithographic printing plate FUJIFILM CORPORATION (JP) 2010-05-04 US disclosed
EP-1762599-B1 Ink composition, inkjet recording method, printed material, process for producing lithographic plate, and lithographic printing plate FUJIFILM CORP (JP) 2008-03-05 EP disclosed
EP-1762599-A1 Ink composition, inkjet recording method, printed material, process for producing lithographic plate, and lithographic printing plate FUJIFILM Corporation (JP) 2007-03-14 EP disclosed
US-20070052790-A1 Ink composition, inkjet recording method, printed material, process for producing lithographic printing plate, and lithographic printing plate FUJI PHOTO FILM CO., LTD. 2007-03-08 US disclosed
EP-0799247-B1 CHITOSAN SALTS AND PROCESS FOR THE PREPARATION THEREOF KIMBERLY CLARK CO (US) 2002-07-10 EP disclosed
EP-0799247-A2 CHITOSAN SALTS AND PROCESS FOR THE PREPARATION THEREOF Kimberly-Clark Worldwide, Inc. (US) 1997-10-08 EP disclosed
US-5599916-A MIXING A CHITOSAN, WATER AND AN ACID; RECOVERING A WATER-SWELLABLE, WATER-INSOLUBLE CHITOSAN; DISPOSABLE PRODUCTS; DIAPERS; SANITARY NAPKINS KIMBERLY-CLARK CORPORATION (US) 1997-02-04 US disclosed
WO-1996020015-A2 CHITOSAN SALTS AND PROCESS FOR THE PREPARATION THEREOF KIMBERLY-CLARK WORDLWIDE, INC. (US) 1996-07-04 WO disclosed