SCHEMBL86091

SCHEMBL86091

CC(C)c1cc(C(C)C)c(S(=O)(=O)O)c(C(C)C)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FABP4 P15090 6/20 1.00
FABP3 P05413 2/20 1.00
FABP5 Q01469 1/20 1.00
GABRA1 P14867 1/20 0.47
GABRB2 P47870 1/20 0.47
GAA P10253 1/20 0.45
ALDH1A1 P00352 1/20 0.45
HDAC1 Q13547 1/20 0.41
TDP1 Q9NUW8 1/20 0.39
NR3C1 P04150 1/20 0.39
EPHX2 P34913 1/20 0.39
ENPP3 O14638 2/20 0.38
ENPP1 P22413 2/20 0.38
PSEN1 P49768 1/20 0.36
PSEN2 P49810 1/20 0.36
APH1B Q8WW43 1/20 0.36
NCSTN Q92542 1/20 0.36
APH1A Q96BI3 1/20 0.36
PSENEN Q9NZ42 1/20 0.36

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
Ammonia Solution, Strong SCHEMBL17985319 0.98 FABP4 (0.96) FABP4FABP3FABP5GABRA1GABRB2
Hydrochloric Acid SCHEMBL6374692 0.98 FABP4 (0.96) FABP4FABP3FABP5GABRA1GABRB2
SCHEMBL28654070 0.98 FABP4 (0.96) FABP4FABP3FABP5GABRA1GABRB2
SCHEMBL2322601 0.98 FABP4 (0.96) FABP4FABP3FABP5GABRA1GABRB2
SCHEMBL28511172 0.98 FABP4 (0.96) FABP4FABP3FABP5GABRA1GABRB2
Tetramethylammonium Ion SCHEMBL592343 0.94 FABP4 (0.89) FABP4FABP3FABP5GABRA1GABRB2
SCHEMBL12162268 0.92 FABP4 (0.85) FABP4FABP3FABP5GABRA1GABRB2
SCHEMBL14022220 0.91 FABP4 (0.82) FABP4FABP3FABP5GABRA1GABRB2
SCHEMBL12982857 0.91 FABP4 (0.82) FABP4FABP3FABP5GABRA1GABRB2
SCHEMBL2607717 0.89 FABP4 (0.79) FABP4FABP3FABP5GABRA1GABRB2

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

Appears in 3250 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118146082-A Preparation method of 8-hydroxy-6-oxo-octanoic acid 苏州富士莱医药股份有限公司 2024-06-07 CN claimed
WO-2024110994-A1 A PROCESS FOR THE PREPARATION OF LEDIPASVIR COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH AN INDIAN REGISTERED BODY INCORPORATED UNDER THE REGN. OF SOC. ACT (ACT XXI OF 1860) (IN) 2024-05-30 WO claimed
CN-116854630-A Methods and intermediates for preparing therapeutic compounds useful in the treatment of retroviral infections 吉利德科学公司 2023-10-10 CN claimed
CN-116761598-A Antiviral use of FABP4 modulating compounds 新月生物科学 2023-09-15 CN claimed
US-20230255933-A1 ANTIVIRAL USE OF FABP4 MODULATING COMPOUNDS CRESCENTA BIOSCIENCES (US) 2023-08-17 US claimed
US-20230241025-A1 ANTIVIRAL USE OF FABP4 MODULATING COMPOUNDS CRESCENTA BIOSCIENCES (US) 2023-08-03 US claimed
CN-116199637-A Preparation method of deferasirox 湖南欧亚药业有限公司 2023-06-02 CN claimed
EP-4175647-A1 ANTIVIRAL USE OF FABP4 MODULATING COMPOUNDS Crescenta Biosciences (US) 2023-05-10 EP claimed
US-20230057246-A1 NOVEL PROCESSES FOR PREPARATION OF TEZACAFTOR LAURUS LABS LIMITED (IN) 2023-02-23 US claimed
EP-4099991-A1 NOVEL PROCESSES FOR PREPARATION OF TEZACAFTOR Laurus Labs Limited (IN) 2022-12-14 EP claimed
EP-0515232-A1 2-benzocoumarinyl-carbapenems MERCK & CO. INC. (US) 1992-11-25 EP claimed
EP-0509756-A1 2-Phenanthridonyl carbapenems having cationizeable substituents MERCK & CO. INC. (US) 1992-10-21 EP claimed
US-5151512-A Bactericides MERCK & CO., INC. (US) 1992-09-29 US claimed
US-5132421-A 2-naphthyl-carbapenem intermediates MERCK & CO., INC. (US) 1992-07-21 US claimed
EP-0480712-A1 2-(substituted-dibenzofuranyl and dibenzothienyl) carbapenem antibacterial agents MERCK & CO. INC. (US) 1992-04-15 EP claimed
EP-0472306-A1 2-(9-fluorenonyl)-carbapenem antibacterial agents MERCK & CO. INC. (US) 1992-02-26 EP claimed
EP-0467434-A1 2-Biphenyl-carbapenem antibacterial agents MERCK & CO. INC. (US) 1992-01-22 EP claimed
EP-0466254-A1 2-naphthyl-carbapenems MERCK & CO. INC. (US) 1992-01-15 EP claimed
EP-0463852-A2 2-Phenanthrenyl-carbapenem antibacterial agents MERCK & CO. INC. (US) 1992-01-02 EP claimed
US-4912231-A Reacting a proline derivative with an aromatic nucleophile in presence of a Lewis acid catalyst E. R. SQUIBB & SONS, INC. (US) 1990-03-27 US claimed