SCHEMBL8029095

SCHEMBL8029095

COc1ccc(OCCCC(=O)O)cc1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 1/20 0.64
FFAR1 O14842 3/20 0.61
FFAR4 Q5NUL3 1/20 0.61
MAPT P10636 2/20 0.61
L3MBTL1 Q9Y468 1/20 0.59
PPARA Q07869 3/20 0.58
PPARG P37231 1/20 0.58
PPARD Q03181 1/20 0.58
HPGD P15428 1/20 0.58
GAA P10253 1/20 0.56
MTNR1A P48039 1/20 0.54
MTNR1B P49286 1/20 0.54
MEN1 O00255 1/20 0.54
NPC1 O15118 1/20 0.54
ALDH1A1 P00352 1/20 0.54
CYP1A2 P05177 1/20 0.54
CYP3A4 P08684 1/20 0.54
CYP2D6 P10635 1/20 0.54
CYP2C9 P11712 1/20 0.54
CYP2C19 P33261 1/20 0.54

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
Hydrochloric Acid SCHEMBL8981950 0.98 PDE4B (0.62) PDE4BFFAR1FFAR4MAPTL3MBTL1
SCHEMBL15176983 0.94 PPARA (0.65) PDE4BFFAR1FFAR4MAPTL3MBTL1
Mequinol SCHEMBL10533614 0.93 PDE4B (0.57) PDE4BFFAR1FFAR4MAPTL3MBTL1
SCHEMBL4298103 0.93 PPARA (0.68) PDE4BFFAR1FFAR4MAPTL3MBTL1
SCHEMBL1801957 0.93 PPARA (0.68) PDE4BFFAR1FFAR4MAPTL3MBTL1
SCHEMBL8483507 0.93 PPARA (0.68) PDE4BFFAR1FFAR4MAPTL3MBTL1
SCHEMBL9730131 0.92 PPARA (0.69) PDE4BFFAR1FFAR4MAPTL3MBTL1
SCHEMBL1807043 0.90 L3MBTL1 (0.72) PDE4BFFAR1MAPTL3MBTL1PPARA
SCHEMBL12311085 0.90 PDE4B (0.54) PDE4BFFAR1FFAR4MAPTL3MBTL1
SCHEMBL31448501 0.90 PPARA (0.65) FFAR1FFAR4L3MBTL1PPARAGAA

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6166031-A Substituted tetralins, chromans and related compounds in the treatment of asthma PFIZER INC, (US) 2000-12-26 US disclosed
US-5998451-A LIPOXYGENASE INHIBITORS PFIZER INC (US) 1999-12-07 US disclosed
US-5990158-A EXTRACELLULAR MATRIX METALLOPROTEINASES INHIBITORS; ORAL ADMINISTRATION; BIOAVAILABILITY; E.G.,N-(2-(2'-(5-METHYL-2-OXO-1,3-DIOXOL-4-YL)METHYLENE-OXY-2'-OXO-ETHYL)-5 -(4-METH-OXYPHENYL)OXY)PENTANOYL)PHENYLALANINE N-METHYLAMIDE KOTOBUKI SEIYAKU CO., LTD. (JP) 1999-11-23 US disclosed
EP-0487343-B1 Process for preparing a lithographic plate FUJI PHOTO FILM CO LTD (JP) 1999-04-28 EP disclosed
EP-0423796-B1 Thermal transfer dye donating materials FUJI PHOTO FILM CO LTD (JP) 1996-05-29 EP disclosed
US-5403811-A Colorfast images FUJI PHOTO FILM CO., LTD. (JP) 1995-04-04 US disclosed
US-5262377-A Colorfastness FUJI PHOTO FILM CO., LTD. (JP) 1993-11-16 US disclosed
CN-1021823-C Substituted chroman compounds for treatment of asthma, arthritis and the like PFIZER (US) 1993-08-18 CN disclosed
EP-0313295-B1 SUBSTITUTED TETRALINS, CHROMANS AND RELATED COMPOUNDS IN THE TREATMENT OF ASTHMA, ARTHRITIS AND RELATED DISEASES PFIZER INC. (US) 1993-07-28 EP disclosed
CN-1064864-A The tetraline that replaces and the preparation method of allied compound PFIZER (US) 1992-09-30 CN disclosed
CN-1063489-A Substituted benzotetrahydropyridines and related compounds PFIZER (US) 1992-08-12 CN disclosed
EP-0487343-A1 Process for preparing a lithographic plate Fuji Photo Film Co., Ltd. (JP) 1992-05-27 EP disclosed
US-5059609-A Lipoxygenase inhibitors; leukotriene receptor blockers; psoriasis; antiulcer agents and myocardial infarctions PFIZER INC. (US) 1991-10-22 US disclosed
CN-1032659-A Substituted tetralins, chromans and like compounds for the treatment of asthma, arthritis and like diseases PFIZER (US) 1989-05-03 CN disclosed
EP-0313295-A2 Substituted tetralins, chromans and related compounds in the treatment of asthma, arthritis and related diseases PFIZER INC. (US) 1989-04-26 EP disclosed
EP-0313296-A2 Substituted chromans and related compounds in the treatment of asthma PFIZER INC. (US) 1989-04-26 EP disclosed