SCHEMBL647331

SCHEMBL647331

CC(C(=O)O)c1ccccc1I

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 9/20 0.47
CXCL8 P10145 2/20 0.46
MMP2 P08253 2/20 0.46
MMP9 P14780 2/20 0.46
MMP8 P22894 2/20 0.46
MMP12 P39900 2/20 0.46
MMP13 P45452 2/20 0.46
MMP14 P50281 2/20 0.46
MMP16 P51512 2/20 0.46
MMP1 P03956 1/20 0.46
PTGS1 P23219 8/20 0.45
MAPT P10636 3/20 0.41
HPGD P15428 3/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
SLC22A6 Q4U2R8 2/20 0.41
LMNA P02545 2/20 0.41
HIF1A Q16665 2/20 0.41
DRD3 P35462 2/20 0.41
CYP1A2 P05177 2/20 0.41

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
SCHEMBL2204495 0.84 PTGS2 (0.56) PTGS2CXCL8MMP2MMP9MMP8
SCHEMBL1679256 0.84 CXCL8 (0.44) PTGS2CXCL8MMP2MMP9MMP8
SCHEMBL15502398 0.82 CXCL8 (0.47) PTGS2CXCL8ALDH1A1
SCHEMBL20921259 0.79 KMT2A (0.44) PTGS2PTGS1MAPTHPGDMEN1
SCHEMBL4160190 0.79 KMT2A (0.44) PTGS2PTGS1MAPTHPGDMEN1
SCHEMBL1343676 0.78 PTGS2 (0.50) PTGS2CXCL8MMP2MMP9MMP8
SCHEMBL18797642 0.78 PTGS2 (0.50) PTGS2CXCL8MMP2MMP9MMP8
SCHEMBL1667434 0.77 CYP2D6 (0.41) PTGS2PTGS1KMT2ALMNAHIF1A
SCHEMBL153695 0.77 PTGS2 (0.59) PTGS2CXCL8MMP2MMP9MMP8
SCHEMBL38662145 0.77 LMNA (0.52) PTGS2HPGDMEN1KMT2ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101380317-A Pharmaceutical composition for relieving pruritus CAYMAN ISLAND SHANGANSHENG DEV (CN) 2009-03-11 CN claimed
WO-2026097145-A1 FAK INHIBITORS AMPLIA THERAPEUTICS LIMITED (AU) 2026-05-15 WO disclosed
CN-114956933-A Marker containing isotope oxygen atom and preparation method and application thereof 清华大学 2022-08-30 CN disclosed
CN-109642908-B Compounds useful for treating metabolic disorders 哈佛学院院长及董事 2022-08-16 CN disclosed
CN-111517902-B Aerobic oxidation system containing sulfinic acid, sulfonic acid or derivatives thereof and photo-oxidation promoting method thereof 清华大学 2022-06-14 CN disclosed
CN-113121450-A Alpha-amino-beta-carboxymuconate semialdehyde decarboxylase inhibitors TES制药有限责任公司 2021-07-16 CN disclosed
CN-112218913-A Porous body and method for producing porous body 株式会社伊玛尔斯京都 2021-01-12 CN disclosed
CN-107207483-B Alpha-amino-beta-carboxymuconate semialdehyde decarboxylase inhibitors TES制药有限责任公司 2020-10-30 CN disclosed
CN-104736533-B Vegfr3 inhibitor 癌症治疗合作研究中心有限公司 2016-12-07 CN disclosed
US-20160030568-A1 COMPOSITIONS CAPABLE OF FACILITATING PENETRATION ACROSS A BIOLOGICAL BARRIER CHIASMA INC. (US) 2016-02-04 US disclosed
EP-0944394-A4 TREATMENT OF HIV-INFECTION BY INTERFERING WITH HOST CELL CYCLOPHILIN RECEPTOR ACTIVITY PICOWER INST MED RES (US) 2003-05-14 EP disclosed
EP-0944394-A1 TREATMENT OF HIV-INFECTION BY INTERFERING WITH HOST CELL CYCLOPHILIN RECEPTOR ACTIVITY THE PICOWER INSTITUTE FOR MEDICAL RESEARCH (US) 1999-09-29 EP disclosed
US-5856322-A ANTIALLERGENS, ANTIINFLAMMATORY AGENTS, CARDIOVASCULAR DISORDERS MERCK FROSST CANADA, INC. (CA) 1999-01-05 US disclosed
EP-0480717-B1 Unsaturated hydroxyalkylquinoline acids as leukotriene antagonists MERCK FROSST CANADA INC (CA) 1998-04-15 EP disclosed
WO-1997033604-A1 TREATMENT OF HIV-INFECTION BY INTERFERING WITH HOST CELL CYCLOPHILIN RECEPTOR ACTIVITY PICOWER INSTITUTE FOR MEDICAL RESEARCH (US) 1997-09-18 WO disclosed
US-5565473-A USEFUL AS ANTI-ASTHMATIC, ANTI-ALLERGIC, ANTI-INFLAMMATORY AND CYTOPROTECTIVE AGENTS; MONTELUKAST AND ITS SODIUM SALT MERCK FROSST CANADA, INC. (CA) 1996-10-15 US disclosed
WO-1994012663-A9 IDENTIFICATION AND PURIFICATION OF SERINE ESTERASE ENZYMES 1994-07-21 WO disclosed
WO-1994012663-A1 IDENTIFICATION AND PURIFICATION OF SERINE ESTERASE ENZYMES MEDICAL RESEARCH COUNCIL (GB) 1994-06-09 WO disclosed
US-5270324-A Fluorinated hydroxyalkylquinoline acids as leukotriene antagonists MERCK FROSST CANADA, INC. (CA) 1993-12-14 US disclosed
EP-0480717-A1 Unsaturated hydroxyalkylquinoline acids as leukotriene antagonists MERCK FROSST CANADA INC. (CA) 1992-04-15 EP disclosed