SCHEMBL4133285

SCHEMBL4133285

CCCCC(=O)Nc1cc[c]cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.58
CA1 P00915 2/20 0.58
CA2 P00918 2/20 0.58
CA12 O43570 1/20 0.58
CA9 Q16790 1/20 0.58
CYP1A2 P05177 1/20 0.54
CYP2D6 P10635 1/20 0.54
CYP2C9 P11712 1/20 0.54
CYP2C19 P33261 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
TP53 P04637 2/20 0.53
SOAT2 O75908 1/20 0.51
SOAT1 P35610 1/20 0.51
NAMPT P43490 1/20 0.51
HPGD P15428 3/20 0.50
KDM4E B2RXH2 2/20 0.50
ENPP2 Q13822 1/20 0.50
DGAT2 Q96PD7 1/20 0.50
PSMB11 A5LHX3 1/20 0.50
PSMA7 O14818 1/20 0.50

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
SCHEMBL5306363 0.95 CA1 (0.59) ALDH1A1CA1CA2CA12CA9
SCHEMBL1005094 0.93 SOAT2 (0.60) CA1CA2SMN1; SMN2SOAT2SOAT1
SCHEMBL11365418 0.93 SOAT2 (0.60) CA1CA2SMN1; SMN2SOAT2SOAT1
SCHEMBL7272103 0.93 SOAT2 (0.60) CA1CA2SMN1; SMN2SOAT2SOAT1
SCHEMBL9776434 0.93 SOAT2 (0.60) CA1CA2SMN1; SMN2SOAT2SOAT1
SCHEMBL7834597 0.93 SOAT2 (0.60) CA1CA2SMN1; SMN2SOAT2SOAT1
SCHEMBL1779858 0.93 SOAT2 (0.60) CA1CA2SMN1; SMN2SOAT2SOAT1
SCHEMBL5695284 0.93 SOAT2 (0.60) CA1CA2SMN1; SMN2SOAT2SOAT1
SCHEMBL7278374 0.93 SOAT2 (0.60) CA1CA2SMN1; SMN2SOAT2SOAT1
SCHEMBL2448622 0.93 SOAT2 (0.60) CA1CA2SMN1; SMN2SOAT2SOAT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110343068-A 2- amino -2- quinolyl ethyl alcohol class broxaterol and its preparation method and application 沈阳药科大学 2019-10-18 CN claimed
CN-101108919-B Azo dye, colored composition, heat-sensitive transfer recording ink sheet, heat-sensitive transfer recording method, and color filter FUJI PHOTO FILM CO LTD 2013-07-31 CN claimed
JP-2002536440-A 2002-10-29 JP claimed
CN-1346351-A 1,2-benzothiazepines for the treatment of hyperlipidemic diseases SEARLE & CO (US) 2002-04-24 CN claimed
EP-1155007-A2 1,2-BENZOTHIAZEPINES FOR THE TREATMENT OF HYPERLIPIDEMIC DISEASES G.D. Searle LLC (US) 2001-11-21 EP claimed
WO-2000047568-A2 1,2-BENZOTHIAZEPINES FOR THE TREATMENT OF HYPERLIPIDEMIC DISEASES G.D. SEARLE LLC (US) 2000-08-17 WO claimed
CN-110343068-A 2- amino -2- quinolyl ethyl alcohol class broxaterol and its preparation method and application 沈阳药科大学 2019-10-18 CN disclosed
CN-104045644-B The manufacture method and metal phthalocyanine compound of metal phthalocyanine compound 富士胶片株式会社 2018-01-16 CN disclosed
CN-102190930-B Composition for ink, ink group and image forming method FUJI FILM CORP. (JP) 2015-08-05 CN disclosed
CN-102532162-B 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMA CO LTD 2015-05-27 CN disclosed
CN-102190921-B Ink composition, ink set and image forming method using the same FUJIFILM CORP 2015-05-27 CN disclosed
CN-101842449-B Ink set, inkjet recording method and recorded matter FUJIFILM CORP 2014-11-05 CN disclosed
CN-102405261-B Colored curable composition, color resist, ink-jet ink, color filter and method for producing the same, solid-state image pickup device, image display device, liquid crystal display, organic EL display, and colorant compound and tautomer thereof FUJIFILM CORP. (JP) 2014-10-15 CN disclosed
EP-0778267-A1 SULFONAMIDE DERIVATIVES AND INSECTICIDE, MITICIDE AND NEMATICIDE CONTAINING THE SAME OTSUKA KAGAKU KABUSHIKI KAISHA (JP) 1997-06-11 EP disclosed
EP-0765314-A1 BENZOHETEROCYCLIC DERIVATIVES USEFUL AS VASOPRESSIN OR OXYTOCIN MODULATORS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1997-04-02 EP disclosed
WO-1995034540-A1 BENZOHETEROCYCLIC DERIVATIVES USEFUL AS VASOPRESSIN OR OXYTOCIN MODULATORS OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 1995-12-21 WO disclosed
CN-1104412-A Peripheral Vasodilating agent containing N-acylated 4-amino piperidine derivatives as active ingredients OTSUKA PHARMA CO LTD (JP) 1995-06-28 CN disclosed
EP-0650476-A1 PERIPHERAL VASODILATING AGENT CONTAINING N-ACYLATED 4-AMINO PIPERIDINE DERIVATIVES AS ACTIVE INGREDIENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1995-05-03 EP disclosed
WO-1994022826-A1 PERIPHERAL VASODILATING AGENT CONTAINING N-ACYLATED 4-AMINO PIPERIDINE DERIVATIVES AS ACTIVE INGREDIENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1994-10-13 WO disclosed
EP-0513387-A1 ACTIVE OXYGEN INHIBITOR OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1992-11-19 EP disclosed