SCHEMBL1122448

SCHEMBL1122448

C#COCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.52
IDO1 P14902 1/20 0.48
AGXT P21549 1/20 0.46
MAOB P27338 3/20 0.41
ALDH1A1 P00352 3/20 0.40
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40
CA9 Q16790 2/20 0.40
SLC6A2 P23975 2/20 0.40
SLC6A3 Q01959 2/20 0.40
LMNA P02545 2/20 0.40
CYP1A2 P05177 1/20 0.40
PTGS1 P23219 1/20 0.40
CYP2C19 P33261 1/20 0.40
PTGS2 P35354 1/20 0.40
HIF1A Q16665 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
CALM1 P0DP23 1/20 0.39
L3MBTL1 Q9Y468 3/20 0.39
MAPK1 P28482 2/20 0.39

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
Benzene SCHEMBL28561739 1.00 TSHR (0.52) TSHRIDO1AGXTMAOBALDH1A1
SCHEMBL27851510 0.93 AGXT (0.47) TSHRIDO1AGXTMAOBALDH1A1
SCHEMBL28214751 0.88 AGXT (0.47) TSHRIDO1AGXTMAOB
SCHEMBL10505233 0.83 LTA4H (0.52) TSHRMAOA
SCHEMBL1573477 0.81 TSHR (0.54) TSHRIDO1AGXTALDH1A1CA1
SCHEMBL2798157 0.79 TSHR (0.57) TSHRIDO1AGXTMAOBALDH1A1
SCHEMBL7534888 0.76 IDO1 (0.52) IDO1AGXTMAOBCA1CA2
SCHEMBL27597789 0.76 TSHR (0.48) TSHRIDO1AGXTMAOBALDH1A1
SCHEMBL10817040 0.76 CA1 (0.44) IDO1MAOBALDH1A1CA1CA2
SCHEMBL18284466 0.75 TSHR (0.52) TSHRIDO1AGXTMAOBALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4121802-B1 HIGH REFRACTIVE INDEX SILOXANE INSERT MATERIALS FOR EMBEDDED CONTACT LENSES ALCON INC (CH) 2024-07-17 EP claimed
CN-118005593-A Preparation method of 2, 3-disubstituted chromone compound 昆明理工大学 2024-05-10 CN claimed
EP-3426246-B1 THIAZOLIDINONE COMPOUNDS AND USE THEREOF NATIONAL HEALTH RES INST (TW) 2024-05-01 EP claimed
EP-3720858-B1 MODULATORS OF THE BETA-3 ADRENERGIC RECEPTOR USEFUL FOR THE TREATMENT OR PREVENTION OF HEART FAILURE AND DISORDERS RELATED THERETO ARENA PHARM INC (US) 2023-06-07 EP claimed
EP-3728339-B1 COMPOSITION FOR OPHTHALMOLOGICAL PRODUCTS AMO Ireland (IE) 2022-07-06 EP claimed
EP-3200840-B1 LOW-WATER CONTENT ACRYLATE-ACRYLAMIDE COPOLYMERS FOR OPHTHALMIC DEVICES ALCON INC (CH) 2021-11-17 EP claimed
EP-3481828-B1 SPIRO-FUSED CYCLIC UREAS AS INHIBITORS OF ROCK BRISTOL MYERS SQUIBB CO (US) 2020-09-16 EP claimed
EP-3154961-B1 QUINAZOLINONE DERIVATIVES AS PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS GILEAD SCIENCES INC (US) 2019-10-09 EP claimed
EP-3200839-B1 HYDROPHOBIC ACRYLATE-ACRYLAMIDE COPOLYMERS FOR OPHTHALMIC DEVICES NOVARTIS AG (CH) 2019-09-04 EP claimed
EP-3223870-B1 WET-PACK INTRAOCULAR LENS MATERIALS WITH HIGH REFRACTIVE INDEX NOVARTIS AG (CH) 2018-09-26 EP claimed
EP-0126974-B1 CARBOXYALKYL PEPTIDE DERIVATIVES G.D. Searle & Co. (US) 1988-06-15 EP claimed
EP-0063747-B1 2-SUBSTITUTED OR UNSUBSTITUTED AMINOCARBONYLOXYALKYL-1,4-DIHYDROPYRIDINES BANYU PHARMACEUTICAL CO., LTD. (JP) 1987-12-09 EP claimed
EP-0101023-B1 PROCESS FOR PREPARING 2-CARBAMOYLOXYALKYL-1,4-DIHYDROPYRIDINE DERIVATIVES AND INTERMEDIATES USEFUL FOR THE PROCESS BANYU PHARMACEUTICAL CO., LTD. (JP) 1987-07-29 EP claimed
EP-0102729-B1 NITROTHIAZOLEAZO COMPOUNDS, THEIR PREPARATION AND USE IN DYEING SYNTHETIC FIBERS RESEARCH ASSOCIATION OF DYESTUFF MANUFACTURES (JP) 1986-11-05 EP claimed
EP-0093010-B1 ALPHA-HYDROXYETHYLPHOSPHINATES, AND THEIR PRODUCTION AND USE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1986-06-11 EP claimed
EP-0039903-B1 8-SUBSTITUTED PYRROLIZIDINES AND QUATERNARY AMMONIUM SALTS THEREOF SUNTORY KABUSHIKI KAISHA (JP) 1986-04-09 EP claimed
EP-0063905-B1 FUNGICIDAL N-PHENYLCARBAMATES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1985-08-14 EP claimed
EP-0085030-B1 PROCESS FOR THE PREPARATION OF SUBSTITUTED DIVINYL PYRIDINES, AND SUBSTITUTED DIVINYL PYRIDINES CIBA-GEIGY AG (CH) 1985-05-22 EP claimed
EP-0078663-B1 FUNGICIDAL N-PHENYLCARBAMATES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1985-04-17 EP claimed
EP-0003212-B1 2.4-DIAMINO-5-BENZYLPYRIMIDINES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR PREPARATION F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1982-03-17 EP claimed