SCHEMBL480331

SCHEMBL480331

CC(C(=O)O)c1ccc(N)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 12/20 0.61
PTGS1 P23219 8/20 0.57
AKR1C3 P42330 7/20 0.57
AKR1C2 P52895 6/20 0.57
CYP2C9 P11712 4/20 0.57
LMNA P02545 3/20 0.57
CXCR1 P25024 2/20 0.57
CXCR2 P25025 2/20 0.57
SLC22A6 Q4U2R8 2/20 0.57
TSHR P16473 2/20 0.57
ALB P02768 1/20 0.57
ESR1 P03372 1/20 0.57
ALOX5 P09917 1/20 0.57
RARB P10826 1/20 0.57
ADRB3 P13945 1/20 0.57
NFKB1 P19838 1/20 0.57
HTR2A P28223 1/20 0.57
NR1I3 Q14994 1/20 0.57
CXCL8 P10145 1/20 0.57
BLM P54132 1/20 0.57

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
SCHEMBL2852282 1.00 PTGS2 (0.61) PTGS2PTGS1AKR1C3AKR1C2CYP2C9
SCHEMBL2818028 1.00 PTGS2 (0.61) PTGS2PTGS1AKR1C3AKR1C2CYP2C9
Carbamic Acid SCHEMBL9949842 0.96 PTGS2 (0.57) PTGS2PTGS1AKR1C3AKR1C2CYP2C9
Nitric Acid SCHEMBL28366794 0.89 PTGS2 (0.50) PTGS2PTGS1AKR1C3AKR1C2CYP2C9
SCHEMBL59197 0.88 PTGS2 (0.74) PTGS2PTGS1AKR1C3AKR1C2CYP2C9
SCHEMBL13992556 0.86 PTGS2 (0.45) PTGS2PTGS1AKR1C3AKR1C2CYP2C9
SCHEMBL6551674 0.86 PTGS2 (0.65) PTGS2PTGS1AKR1C3AKR1C2CYP2C9
SCHEMBL4651605 0.86 PTGS2 (0.65) PTGS2PTGS1AKR1C3AKR1C2CYP2C9
SCHEMBL27513027 0.84 EPHX1 (0.42) PTGS2PTGS1AKR1C3AKR1C2CYP2C9
SCHEMBL14511593 0.83 PTGS2 (0.42) PTGS2PTGS1AKR1C3AKR1C2CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-120042069-A Wear-resistant radiation-proof functional fabric and preparation method thereof 南通莎玛纺织品有限公司 2025-05-27 CN claimed
CN-119591822-A Polytetrahydrofuran ether amine polyurea with high elongation at break and preparation method and application thereof 北京九天行歌航天科技有限公司 2025-03-11 CN claimed
CN-110707221-B Application of amino acid ionic liquid in preparation of perovskite layer in perovskite photoelectric device 北京大学深圳研究生院 2023-09-01 CN claimed
CN-114456438-B Composite material for enriching viruses in droplets and application thereof 四川大学 2022-11-22 CN claimed
CN-114456438-A Composite material for enriching viruses in droplets and application thereof 四川大学 2022-05-10 CN claimed
CN-114315817-A Meloxicam hapten and artificial antigen as well as preparation methods and application thereof 中国农业大学 2022-04-12 CN claimed
CN-114216892-A Method for rapidly and accurately detecting zearalenone toxin in grain based on SERS (surface enhanced Raman scattering) 厦门大学 2022-03-22 CN claimed
EP-3059004-B1 METHOD FOR REMOVING SOX FROM GAS WITH COMPLEX ALCOHOL-AMINE SOLUTION BEIJING BOYUAN HENGSHENG HIGH TECH CO LTD (CN) 2021-06-30 EP claimed
CN-110707221-A Application of amino acid ionic liquid in preparation of perovskite layer in perovskite photoelectric device 北京大学深圳研究生院 2020-01-17 CN claimed
US-9999852-B2 Method for removing SOx from gas with compound alcohol-amine solution BEIJING BOYUAN HENGSHENG HIGH-TECHNOLOGY CO., LTD (CN) 2018-06-19 US claimed
CN-1042330-C Process for producing phenyl propionic derivatives BOUCHARA SA (FR) 1999-03-03 CN claimed
EP-0379423-B1 PROCESS FOR THE PREPARATION OF PHENYLPROPIONIC ACID BOUCHARA S.A. (FR) 1993-06-23 EP claimed
CN-1058206-A Produce the novel method of benzyl propionate derivant BOUCHARA SA (FR) 1992-01-29 CN claimed
EP-0078709-B1 PREPARATION OF NITROARALKYL CYANIDES AND DERIVATIVES THEREOF ETHYL CORPORATION (US) 1986-10-01 EP claimed
EP-0077662-B1 PREPARATION OF NITROARYLACETIC ACID ESTERS AND DERIVATIVES THEREOF ETHYL CORPORATION (US) 1985-10-02 EP claimed
US-4499026-A Nucleophilic substitution process ETHYL CORPORATION (US) 1985-02-12 US claimed
US-4476315-A NITROARYLACETIC ACID ESTERS FROM NITROAROMATIC COMPOUNDS ETHYL CORPORATION (US) 1984-10-09 US claimed
EP-0078709-A2 Preparation of nitroaralkyl cyanides and derivatives thereof ETHYL CORPORATION (US) 1983-05-11 EP claimed
EP-0077662-A1 Preparation of nitroarylacetic acid esters and derivatives thereof ETHYL CORPORATION (US) 1983-04-27 EP claimed
EP-0000932-B1 PRODUCTION OF N-ACYL-THIENAMYCINS MERCK & CO. INC. (US) 1981-10-21 EP claimed