SCHEMBL177166

SCHEMBL177166

CC(=O)Oc1ccccc1I

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 11/20 0.57
KDM4E B2RXH2 2/20 0.57
HSD17B10 Q99714 2/20 0.57
ALDH1A1 P00352 1/20 0.57
ESR1 P03372 1/20 0.57
ITGB3 P05106 1/20 0.57
ITGA2B P08514 1/20 0.57
HMGB1 P09429 1/20 0.57
HPGD P15428 1/20 0.57
TSHR P16473 1/20 0.57
GGT1 P19440 1/20 0.57
PTGS1 P23219 1/20 0.57
BLM P54132 1/20 0.57
NAPRT Q6XQN6 1/20 0.57
TDP1 Q9NUW8 1/20 0.57
LMNA P02545 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2C9 P11712 1/20 0.50
SLC22A6 Q4U2R8 1/20 0.50
FABP7 O15540 1/20 0.47

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
SCHEMBL31604474 1.00 PTGS2 (0.57) PTGS2KDM4EHSD17B10ALDH1A1ESR1
Potassium SCHEMBL6242239 0.98 PTGS2 (0.55) PTGS2KDM4EHSD17B10ALDH1A1ESR1
SCHEMBL6242232 0.98 PTGS2 (0.55) PTGS2KDM4EHSD17B10ALDH1A1ESR1
SCHEMBL27618392 0.89 PTGS2 (0.47) PTGS2KDM4EHSD17B10ALDH1A1ESR1
Trifluoromethanesulfonic Acid SCHEMBL9421987 0.85 PTGS2 (0.44) PTGS2KDM4EHSD17B10ALDH1A1ESR1
SCHEMBL29432883 0.84 PTGS2 (0.68) PTGS2KDM4EHSD17B10ALDH1A1ESR1
SCHEMBL338196 0.84 PTGS2 (0.68) PTGS2KDM4EHSD17B10ALDH1A1ESR1
SCHEMBL6693607 0.83 MAPK1 (0.49) PTGS2KDM4EHSD17B10ALDH1A1ESR1
SCHEMBL7866345 0.82 FABP7 (0.50) PTGS2KDM4EHSD17B10ALDH1A1ESR1
SCHEMBL2140678 0.82 ELANE (0.49) PTGS2KDM4EHSD17B10ALDH1A1ESR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114560859-B Indoloquinoline derivative and preparation method and application thereof 华中师范大学 2023-08-01 CN claimed
CN-113304632-B Intelligent preparation process of electroless copper plating solution applied to PCB 广东利尔化学有限公司 2022-07-05 CN claimed
CN-113563321-A Chromone oxadiazole compound and preparation method and application thereof 江西科技师范大学 2021-10-29 CN claimed
CN-113304632-A Intelligent preparation process of electroless copper plating solution applied to PCB 广东利尔化学有限公司 2021-08-27 CN claimed
CN-108163999-A Active carbon particle of fixed ammonia oxidizing bacteria and preparation method thereof 光合强化(北京)生物科技有限公司 2018-06-15 CN claimed
CN-107266350-A A kind of fragrant acetic acid of adjacent halogen(Ester)The method for preparing the ketone compounds of indoline 2 in aqueous phase with amine 长沙理工大学 2017-10-20 CN claimed
US-7629140-B2 Assay for cytochrome P450 isoform 2C9 ISTITUTO DI RICHERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI S.P.A. (IT) 2009-12-08 US claimed
CN-101380317-A Pharmaceutical composition for relieving pruritus CAYMAN ISLAND SHANGANSHENG DEV (CN) 2009-03-11 CN claimed
US-20080193950-A1 Rapid and sensitive; radiometric; automatic; multiwell plates; incubating with tritium-labeled diclofenac MERCK SHARP & DOHME CORP. 2008-08-14 US claimed
EP-1799843-A4 ASSAY FOR CYTOCHROME P450 ISOFORM 2C9 MERCK & CO INC (US) 2008-04-09 EP claimed
EP-1799843-A2 ASSAY FOR CYTOCHROME P450 ISOFORM 2C9 Merck & Co., Inc. (US) 2007-06-27 EP claimed
WO-2006041844-A2 ASSAY FOR CYTOCHROME P450 ISOFORM 2C9 MERCK & CO., INC. (US) 2006-04-20 WO claimed
WO-2005100286-A2 SYNTHESIS FOR POLYCYCLIC AROMATIC HYDROCARBON COMPOUNDS EASTMAN KODAK COMPANY (US) 2005-10-27 WO claimed
CN-1163619-C Method and compositions for determining sequence of nucleic acid molecules �Ѹ�������ѧ��˾ 2004-08-25 CN claimed
CN-1270598-A Methods and compounds for analyzing nucleic acids by mass spectrometry RAPIGENE INC (US) 2000-10-18 CN claimed
CN-1212021-A Method and compositions for determining sequence of nucleic acid molecules RAPIGENE INC (US) 1999-03-24 CN claimed
CN-119859216-A Polar functionalized conjugated diene polymer and preparation method thereof 东华大学 2025-04-22 CN disclosed
CN-118324870-A Improved peptide drugs for insulin resistance 梅德瑞斯糖尿病有限责任公司 2024-07-12 CN disclosed
CN-1062731-A Water soluble camptothecin analogs and intermediates preparation thereof are by the compound and the using method thereof of described method preparation SMITHKLINE BEECHAM CORP (US) 1992-07-15 CN disclosed
CN-1061407-A Unsaturated hydroxyalkyl quinoline carboxylic acids as leukotriene antagonists MERCK FROSST CANADA INC (CA) 1992-05-27 CN disclosed