SCHEMBL2608796

SCHEMBL2608796

Cc1ccc2ccccc2c1CO

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 5/20 0.54
TSHR P16473 4/20 0.54
CYP2A6 P11509 3/20 0.54
HSD17B10 Q99714 4/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
ALDH1A1 P00352 6/20 0.46
KDM4E B2RXH2 3/20 0.46
MAPT P10636 3/20 0.46
TDP1 Q9NUW8 2/20 0.46
GAA P10253 2/20 0.46
TAAR1 Q96RJ0 1/20 0.46
KMT2A Q03164 2/20 0.43
HPGD P15428 2/20 0.42
GLA P06280 1/20 0.42
LCK P06239 1/20 0.41
FYN P06241 1/20 0.41
ADORA3 P0DMS8 1/20 0.41
ACHE P22303 1/20 0.41
SLC6A2 P23975 1/20 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
SCHEMBL7260925 0.84 TSHR (0.51) CYP1A2TSHRCYP2A6HSD17B10CYP2C9
SCHEMBL6249203 0.83 TSHR (0.58) CYP1A2TSHRCYP2A6HSD17B10CYP2C9
SCHEMBL16042478 0.83 TSHR (0.58) CYP1A2TSHRCYP2A6HSD17B10CYP2C9
SCHEMBL17697793 0.82 CYP1A2 (0.42) CYP1A2TSHRCYP2A6HSD17B10ALDH1A1
SCHEMBL607362 0.81 CYP1A2 (0.56) CYP1A2TSHRCYP2A6HSD17B10CYP2C9
SCHEMBL29489290 0.81 TSHR (0.56) CYP1A2TSHRCYP2A6HSD17B10CYP2C9
Potassium SCHEMBL29978462 0.81 TSHR (0.56) CYP1A2TSHRCYP2A6HSD17B10CYP2C9
SCHEMBL29489289 0.81 TSHR (0.56) CYP1A2TSHRCYP2A6HSD17B10CYP2C9
SCHEMBL1538534 0.79 TSHR (0.54) CYP1A2TSHRCYP2A6HSD17B10CYP2C9
SCHEMBL706356 0.79 L3MBTL1 (0.57) CYP1A2TSHRCYP2A6HSD17B10CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105181857-A Method for measuring polycyclic aromatic hydrocarbons in cigarette cut tobacco by on-line solid phase extraction and high performance liquid chromatography NAT TOBACCO QUALITY SUPERVISION & INSPECTION CT 2015-12-23 CN claimed
CN-105136931-A Method for determining polyaromatic hydrocarbons in smokeless tobacco product by utilization of on-line solid phase extraction high performance liquid chromatography NAT TOBACCO QUALITY SUPERVISION & INSPECTION CT 2015-12-09 CN claimed
US-6620823-B2 Antiinflammatory agents; rheumatic disorders BRISTOL-MYERS SQUIBB PHARME COMPANY 2003-09-16 US claimed
US-5191133-A PROCESS FOR PREPARATION OF 2-VINYLNAPHTHALENE HOESCHT CELANESE CORPORATION (US) 1993-03-02 US claimed
JP-5178782-A None JP disclosed
JP-9107983-A None JP disclosed
CN-117899928-A Hydrogen ZSM-5/ZSM-12/SAPO-11 composite molecular sieve, and preparation method and application thereof 西安交通大学 2024-04-19 CN disclosed
EP-3012274-B1 AROMATIC HYDROCARBON FORMALDEHYDE RESIN, MODIFIED AROMATIC HYDROCARBON FORMALDEHYDE RESIN, AND EPOXY RESIN, AND METHOD FOR PRODUCING SAID RESINS MITSUBISHI GAS CHEMICAL CO (JP) 2019-10-23 EP disclosed
EP-3268355-B1 GLUCOSYLCERAMIDE SYNTHASE INHIBITORS FOR THE TREATMENT OF DISEASES BIOMARIN PHARM INC (US) 2019-06-12 EP disclosed
US-10017604-B2 Modified phenolic resin, method for producing modified phenolic resin, modified epoxy resin, method for producing modified epoxy resin, curable resin composition, cured product of same, and printed wiring board DIC CORPORATION (JP) 2018-07-10 US disclosed
US-9725551-B2 Aromatic hydrocarbon formaldehyde resin, modified aromatic hydrocarbon formaldehyde resin and epoxy resin, and method for producing these MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2017-08-08 US disclosed
US-9505753-B2 Inhibitors of D-amino acid oxidase THE JOHNS HOPKINS UNIVERSITY (US) 2016-11-29 US disclosed
EP-1027332-A1 NOVEL LACTAM METALLOPROTEASE INHIBITORS Du Pont Pharmaceuticals Company (US) 2000-08-16 EP disclosed
US-6057336-A ANTIINFLAMMATORY AGENTS E. I. DU PONT DE NEMOURS AND COMPANY (US) 2000-05-02 US disclosed
EP-0939749-A1 PROCESS FOR THE PREPARATION OF BENZYL-ETHERS Agro-Chemie Növenyvedöszer Gyárto Ertékesito Es Forgalmazo KFT. (HU) 1999-09-08 EP disclosed
WO-1999018074-A1 NOVEL LACTAM METALLOPROTEASE INHIBITORS Britol-Myers Squibb Pharma Company (US) 1999-04-15 WO disclosed
WO-1998022416-A1 PROCESS FOR THE PREPARATION OF BENZYL-ETHERS AGRO-CHEMIE NÖVÉNYVÉDÖSZER GYÁRTÓ ÉRTÉKESITÓ ÉS FORGALMAZÓ KFT. (HU) 1998-05-28 WO disclosed
JP-H09107983-A PRODUCTION OF HYDROXYMETHYLNAPHTHALENES AND PRODUCTION OF HYDROXYMETHYLMETHYLNAPHTHALENES AND/OR DIHYDROXYMETHYLNAPHTHALENES ARAKAWA CHEM IND CO LTD 1997-04-28 JP disclosed
JP-H05178782-A PREPARATION OF 2-VINYLNAPHTHALENE HOECHST CELANESE CORP 1993-07-20 JP disclosed
US-5191133-A PROCESS FOR PREPARATION OF 2-VINYLNAPHTHALENE HOESCHT CELANESE CORPORATION (US) 1993-03-02 US disclosed