SCHEMBL7278960

SCHEMBL7278960

CCCCCCCCOc1ccc2cc(C(=O)O)ccc2c1

nearest known ligand 0.77

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.77
TSHR P16473 1/20 0.77
PLA2G4B P0C869 5/20 0.74
RARB P10826 3/20 0.70
THRA P10827 1/20 0.67
PLA2G2A P14555 1/20 0.67
PLA2G4A P47712 1/20 0.67
PTPN11 Q06124 1/20 0.65

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
SCHEMBL5383674 1.00 TP53 (0.77) TP53TSHRPLA2G4BRARBTHRA
SCHEMBL9325995 1.00 TP53 (0.77) TP53TSHRPLA2G4BRARBTHRA
SCHEMBL14672324 1.00 TP53 (0.77) TP53TSHRPLA2G4BRARBTHRA
SCHEMBL9779326 1.00 TP53 (0.77) TP53TSHRPLA2G4BRARBTHRA
SCHEMBL7283625 1.00 TP53 (0.77) TP53TSHRPLA2G4BRARBTHRA
SCHEMBL7281514 1.00 TP53 (0.77) TP53TSHRPLA2G4BRARBTHRA
SCHEMBL7271669 1.00 TP53 (0.77) TP53TSHRPLA2G4BRARBTHRA
SCHEMBL5388136 1.00 TP53 (0.77) TP53TSHRPLA2G4BRARBTHRA
Hydrochloric Acid SCHEMBL8541196 0.98 TP53 (0.74) TP53TSHRPLA2G4BRARBTHRA
Hydrochloric Acid SCHEMBL8302098 0.98 TP53 (0.74) TP53TSHRPLA2G4BRARBTHRA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-3145444-A None JP disclosed
CN-104211766-B Six lipopeptide compound of ring and its purposes as drug 中国人民解放军第二军医大学 2018-07-31 CN disclosed
CN-104211766-A Cyclohexalipopeptide compounds and pharmaceutical application thereof UNIV PLA 2ND MILITARY MEDICAL 2014-12-17 CN disclosed
CN-101602795-B Cyclohexalipopeptide amine antifungal compound, salts and preparation method thereof ARMY MEDICAL UNIV. NO.2, CHINESE PLA (CN) 2011-12-21 CN disclosed
CN-101602795-A Cyclohexalipopeptideamine amine antifungal compound and its esters and preparation method UNIV PLA 2ND MILITARY MEDICAL (CN) 2009-12-16 CN disclosed
EP-0805685-B1 NOVEL ANTIFUNGAL CYCLOHEXAPEPTIDES MERCK & CO INC (US) 2001-09-26 EP disclosed
EP-0758013-B1 Liquid crystalline optical film, compensating film for liquid crystal display and liquid crystal display NIPPON OIL CO LTD (JP) 2000-10-11 EP disclosed
EP-0779895-B1 AN IMPROVED PROCESS FOR PREPARING SIDE CHAIN DERIVATIVES OF CYCLOHEXAPEPTIDYL LIPOPEPTIDES MERCK & CO INC (US) 1999-11-17 EP disclosed
US-5914313-A ANTIBIOTICS MERCK & CO., INC. (US) 1999-06-22 US disclosed
US-5855971-A Liquid crystalline optical film, compensating film for liquid crystal display comprising the liquid crystalline optical film, and liquid crystal display having the compensating film NIPPON OIL COMPANY, LIMITED (JP) 1999-01-05 US disclosed
CN-1059729-A Novel polypeptide compound and preparation method thereof FUJISAWA PHARMACEUTICAL CO (JP) 1992-03-25 CN disclosed
EP-0462531-A2 Cyclic polypeptide with antibiotic activity, process for its preparation and pure culture of a Coelomycetes strain FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1991-12-27 EP disclosed
US-5072021-A Liquid crystals MITSUI TOATSU CHEMICALS, INC. (JP) 1991-12-10 US disclosed
US-5061399-A FERROELECTRICITY THE SECRETARY OF STATE FOR DEFENCE IN HER BRITANNIC MAJESTY'S GOVERNMENT OF THE UNITED KINGDOM OF GREAT BRITAIN AND NORTHERN IRELAND (GB) 1991-10-29 US disclosed
JP-H03145444-A NAPHTHALENE RING-CONTAINING LIQUID CRYSTAL COMPOUND KASHIMA SEKIYU KK 1991-06-20 JP disclosed
EP-0302875-B1 OPTICALLY ACTIVE NAPHTHALENE COMPOUNDS AND LIQUID CRYSTAL COMPOSITIONS CONTAINING THEM THE SECRETARY OF STATE FOR DEFENCE IN HER BRITANNIC MAJESTY'S GOVERNMENT OF THE UNITED KINGDOM OF GREAT BRITAIN AND NORTHERN (GB) 1991-02-27 EP disclosed
EP-0391956-A1 CYANOHYDRIN DERIVATIVES AND THEIR USE IN LIQUID CRYSTAL MATERIALS AND DEVICES. SECR DEFENCE BRIT (GB) 1990-10-17 EP disclosed
WO-1989005792-A1 CYANOHYDRIN DERIVATIVES AND THEIR USE IN LIQUID CRYSTAL MATERIALS AND DEVICES THE SECRETARY OF STATE FOR DEFENCE IN HER BRITANNIC MAJESTY'S GOVERNMENT OF THE UNITED KINGDOM OF GREAT BRITAIN AND NORTHERN IRELAND (GB) 1989-06-29 WO disclosed
EP-0302875-A1 OPTICALLY ACTIVE NAPHTHALENE COMPOUNDS AND LIQUID CRYSTAL COMPOSITIONS CONTAINING THEM. SECR DEFENCE BRIT (GB) 1989-02-15 EP disclosed
WO-1987006577-A2 OPTICALLY ACTIVE NAPHTHALENE COMPOUNDS AND LIQUID CRYSTAL COMPOSITIONS CONTAINING THEM THE SECRETARY OF STATE FOR DEFENCE IN HER BRITANNI (GB) 1987-11-05 WO disclosed