SCHEMBL805663

SCHEMBL805663

CC(C(=O)O)c1ccc2c(c1)OCO2

nearest known ligand 0.81

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.81
PTGS2 P35354 1/20 0.81
MAPK9 P45984 1/20 0.55
MME P08473 1/20 0.53
KMT2A Q03164 4/20 0.52
HPGD P15428 1/20 0.52
ALDH1A1 P00352 3/20 0.51
MAPK1 P28482 1/20 0.51
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
MEN1 O00255 2/20 0.51
OGA O60502 1/20 0.48
KDM4E B2RXH2 1/20 0.48
MCL1 Q07820 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48

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
SCHEMBL9220209 1.00 PTGS1 (0.81) PTGS1PTGS2MAPK9MMEKMT2A
SCHEMBL1056332 0.90 PTGS1 (1.00) PTGS1PTGS2HPGDALDH1A1CYP1A2
SCHEMBL15695562 0.90 PTGS1 (0.66) PTGS1PTGS2MAPK9KMT2AHPGD
SCHEMBL8796435 0.90 PTGS1 (0.66) PTGS1PTGS2MAPK9KMT2AHPGD
SCHEMBL27598809 0.88 PTGS1 (0.63) PTGS1PTGS2MAPK9KMT2AHPGD
SCHEMBL9577360 0.87 PTGS1 (0.62) PTGS1PTGS2MAPK9MMEKMT2A
SCHEMBL18252774 0.86 PTGS1 (0.61) PTGS1PTGS2MAPK9KMT2AHPGD
SCHEMBL8035766 0.85 PTGS1 (0.59) PTGS1PTGS2MAPK9MMEKMT2A
SCHEMBL28574450 0.85 PTGS1 (0.59) PTGS1PTGS2MAPK9KMT2AHPGD
SCHEMBL5717640 0.85 PTGS2 (0.59) PTGS1PTGS2KMT2AHPGDALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112979625-A Synthesis method and application of piperlongumine 广西馨海药业科技有限公司 2021-06-18 CN claimed
US-7264951-B1 Enhanced production of taxol and taxanes by cell cultures of Taxus species PHYTON, INC. (US) 2007-09-04 US claimed
EP-4249470-B1 METHOD FOR PREPARING ALPHA-AMINO ACIDS PHILIPPS UNIV MARBURG (DE) 2024-11-13 EP disclosed
CN-117586259-A Spirocyclic MC4R antagonist compound, pharmaceutical composition and application thereof in medicine 长春金赛药业有限责任公司 2024-02-23 CN disclosed
EP-4249470-A1 METHOD FOR PREPARING ALPHA-AMINO ACIDS PHILIPPS-UNIVERSITÄT MARBURG (DE) 2023-09-27 EP disclosed
CN-112979625-A Synthesis method and application of piperlongumine 广西馨海药业科技有限公司 2021-06-18 CN disclosed
CN-112979625-A Synthesis method and application of piperlongumine 广西馨海药业科技有限公司 2021-06-18 CN disclosed
CN-109010827-A Chlorambucil-poly-dopamine prodrug nanoparticle antitumor application thereof 上海交通大学 2018-12-18 CN disclosed
CN-108383765-A The synthesis of Chlorambucil-dopamine conjugate and the preparation of prodrug nano-particle 上海交通大学 2018-08-10 CN disclosed
US-8785474-B2 Vanilloid receptor ligands, pharmaceutical compositions containing them, process for making them, and use thereof to treat pain and other conditions GRUENENTHAL GMBH (DE) 2014-07-22 US disclosed
US-8785655-B2 Ionic liquid solvents DUBLIN CITY UNIVERSITY (IE) 2014-07-22 US disclosed
WO-1996031492-A1 THIENYL-, FURYL-, PYRROLYL- AND BIPHENYLSULFONAMIDES AND DERIVATIVES THEREOF THAT MODULATE THE ACTIVITY OF ENDOTHELIN TEXAS BIOTECHNOLOGY CORPORATION (US) 1996-10-10 WO disclosed
WO-1996006093-A1 7-AZABICYCLO[2.2.1]-HEPTANE AND -HEPTENE DERIVATIVES AS CHOLINERGIC RECEPTOR LIGANDS UNIVERSITY OF VIRGINIA (US) 1996-02-29 WO disclosed
EP-0691971-A1 7-AZABICYCLO- 2.2.1]-HEPTANE AND -HEPTENE DERIVATIVES AS ANALGESICS AND ANTI-INFLAMMATORY AGENTS UNIVERSITY OF VIRGINIA (US) 1996-01-17 EP disclosed
WO-1994022868-A1 7-AZABICYCLO-[2.2.1]-HEPTANE AND -HEPTENE DERIVATIVES AS ANALGESICS AND ANTI-INFLAMMATORY AGENTS UNIVERSITY OF VIRGINIA (US) 1994-10-13 WO disclosed
US-5334598-A Have endothelin antagonist activity; useful in treating cardiovascular disorders, hypertension, inflammatory diseases and asthma MERCK & CO., INC. (US) 1994-08-02 US disclosed
US-5312828-A Substituted imidazoles having angiotensin II receptor blocking activity SMITHKLINE BEECHAM CORPORATION A CORP. OF PENNSYLVANIA 1994-05-17 US disclosed
EP-0403158-A2 Imidazolyl-alkenoic acids SMITHKLINE BEECHAM CORPORATION (US) 1990-12-19 EP disclosed
EP-0386243-A1 PLATINUM (II) COMPLEXES SAGAMI CHEMICAL RESEARCH CENTER (JP) 1990-09-12 EP disclosed
US-3962282-A JUVENILE HORMONE MIMICS ELI LILLY AND COMPANY (US) 1976-06-08 US disclosed