Ibuprofen

Ibuprofen

SCHEMBL43029

CC(C)Cc1ccc(C(C)C(=O)O)cc1.N=C(N)NCCCC(N)C(=O)O

nearest known ligand 0.57

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

PTGS1PTGS2

The experimentally established mechanism targets of Ibuprofen. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS1 known ✓ P23219 3/20 0.57
▸ PTGS2 known ✓ P35354 3/20 0.57
▸ CXCR1 P25024 3/20 0.57
▸ CXCR2 P25025 3/20 0.57
▸ LMNA P02545 2/20 0.57
▸ CYP2C9 P11712 2/20 0.57
▸ AKR1C3 P42330 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
▸ SLC22A6 Q4U2R8 1/20 0.57
▸ CXCL8 P10145 1/20 0.57
▸ TSHR P16473 1/20 0.57
▸ AKR1C2 P52895 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
Ibuprofen SCHEMBL43030 1.00 PTGS1 (0.57) PTGS1PTGS2CXCR1CXCR2LMNA
Arginine SCHEMBL6676451 0.87 PTGS2 (0.41) PTGS2NPY4RNPY1RNPY2RNPY5R
Ibuprofen SCHEMBL7038934 0.86 EPHX1 (0.46) PTGS1PTGS2CXCR1CXCR2LMNA
Hydrochloric Acid SCHEMBL7161657 0.81 THRB (0.65) PTGS1PTGS2CXCR1CXCR2LMNA
Ibuprofen SCHEMBL44616 0.81 THRB (0.73) PTGS1PTGS2CXCR1CXCR2LMNA
(R)-Ibuprophen SCHEMBL8579043 0.81 THRB (0.73) PTGS1PTGS2CXCR1CXCR2LMNA
Dexibuprofen SCHEMBL8733957 0.81 THRB (0.73) PTGS1PTGS2CXCR1CXCR2LMNA
Ibuprofen SCHEMBL44617 0.81 THRB (0.73) PTGS1PTGS2CXCR1CXCR2LMNA
Dexibuprofen SCHEMBL875767 0.81 THRB (0.73) PTGS1PTGS2CXCR1CXCR2LMNA
(R)-Ibuprophen SCHEMBL29696062 0.81 THRB (0.73) PTGS1PTGS2CXCR1CXCR2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117442735-A Pharmaceutical composition, preparation method and application thereof 武汉九珑人福药业有限责任公司 2024-01-26 — — CN claimed
CN-114080221-B Combination of ibuprofen and tramadol for pain relief 法玛利德尔公司 2023-12-05 — — CN claimed
CN-114886874-B Oral instant film and preparation method thereof 沈阳信达泰康医药科技有限公司 2023-11-17 — — CN claimed
CN-116490167-A Improved manufacturing process 惠氏制药有限公司 2023-07-25 — — CN claimed
US-20220249414-A1 COMBINATION OF IBUPROFEN AND TRAMADOL FOR RELIEVING PAIN FARMALÍDER, S.A. (ES) 2022-08-11 — — US claimed
CN-114080221-A Combination of ibuprofen and tramadol for pain relief 法玛利德尔公司 2022-02-22 — — CN claimed
CN-107233317-B Pharmaceutical composition containing ibuprofen arginine and preparation method thereof 北京万鹏朗格医药科技有限公司 2020-07-24 — — CN claimed
CN-110922344-A Salt forming preparation process of ibuprofen arginine 北京鑫开元医药科技有限公司海南分公司 2020-03-27 — — CN claimed
CN-109432023-A A kind of ibuprofen arginine tablet and preparation method thereof 安徽东盛友邦制药有限公司 2019-03-08 — — CN claimed
CN-108158980-A Arginine Ibuprofen parenteral solution and preparation method thereof 浙江普利药业有限公司 2018-06-15 — — CN claimed
CN-101214235-A Ibuprofen amino acid salt injection and preparation thereof AEROSPACE CENTRAL HOSPITAL (CN) 2008-07-09 — — CN claimed
CN-101190889-A Method for preparing ibuprofen arginine UNIV TIANJIN MEDICAL (CN) 2008-06-04 — — CN claimed
CN-1273137-C Compound prepn. contg. Brufen arginine codeine CHINA PHARMACEUTICAL UNIVERISI (CN) 2006-09-06 — — CN claimed
CN-1268327-C Brufen arginine pseudoephedrine hydrochloride compound formulation HANGZHOU RONGLI MEDICINE TECHN (CN) 2006-08-09 — — CN claimed
CN-1246306-C New method for preparing brufen arginine salt UNIV CHINA PHARMA (CN) 2006-03-22 — — CN claimed
CN-1237964-C Method for preparing composition granules containing ibuprofen amino guanidyl valeric acid RONGLI MEDICINE SCI & TECH CO (CN) 2006-01-25 — — CN claimed
CN-1562966-A New method for preparing brufen arginine salt UNIV CHINA PHARMACY (CN) 2005-01-12 — — CN claimed
CN-1559409-A Compound prepn. contg. Brufen arginine codeine 杭州容立医药科技有限公司 2005-01-05 — — CN claimed
CN-1557293-A Brufen arginine pseudoephedrine hydrochloride compound formulation 杭州容立医药科技有限公司 2004-12-29 — — CN claimed
CN-1528278-A Method for preparing composition granules containing ibuprofen amino guanidyl valeric acid 杭州容立医药科技有限公司 2004-09-15 — — CN claimed
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