SCHEMBL96006

SCHEMBL96006

[O]CCC(=O)c1ccccc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.67
MAPT P10636 3/20 0.67
LMNA P02545 3/20 0.67
L3MBTL1 Q9Y468 2/20 0.67
NR4A2 P43354 1/20 0.67
MAPK1 P28482 3/20 0.61
KMT2A Q03164 2/20 0.61
SMN1; SMN2 Q16637 2/20 0.61
KDM4E B2RXH2 1/20 0.61
MEN1 O00255 1/20 0.61
CYP3A4 P08684 1/20 0.61
HPGD P15428 1/20 0.61
ALOX15 P16050 1/20 0.61
CES1 P23141 1/20 0.61
HDAC1 Q13547 5/20 0.59
HDAC8 Q9BY41 5/20 0.59
ALDH1A1 P00352 3/20 0.59
GAA P10253 1/20 0.59
CYP2C19 P33261 1/20 0.59
HDAC3 O15379 1/20 0.59

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
SCHEMBL30121738 0.87 NR4A2 (0.85) TDP1MAPTLMNAL3MBTL1NR4A2
SCHEMBL719034 0.87 NR4A2 (0.85) TDP1MAPTLMNAL3MBTL1NR4A2
SCHEMBL94885 0.86 L3MBTL1 (0.75) TDP1MAPTLMNAL3MBTL1NR4A2
SCHEMBL95197 0.84 TDP1 (0.79) TDP1MAPTLMNAL3MBTL1NR4A2
SCHEMBL2209431 0.83 TDP1 (0.64) TDP1MAPTLMNAL3MBTL1NR4A2
SCHEMBL96370 0.82 TDP1 (0.83) TDP1MAPTLMNAL3MBTL1NR4A2
SCHEMBL98293 0.82 TDP1 (0.83) TDP1MAPTLMNAL3MBTL1NR4A2
SCHEMBL1052631 0.82 TDP1 (0.86) TDP1MAPTLMNAL3MBTL1NR4A2
SCHEMBL7068671 0.82 TDP1 (0.95) TDP1MAPTLMNAL3MBTL1NR4A2
SCHEMBL79657 0.80 TDP1 (0.67) TDP1MAPTLMNAL3MBTL1NR4A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1387831-A1 SUBSTITUTED ARYLKETONES Bayer CropScience AG (DE) 2004-02-11 EP claimed
WO-2002090336-A1 SUBSTITUTED ARYLKETONES BAYER CROPSCIENCE AG (DE) 2002-11-14 WO claimed
US-20240186580-A1 LITHIUM (N-CARBONYL)SULFONAMIDE COMPOUND, ADDITIVE FOR LITHIUM SECONDARY BATTERY, NON-AQUEOUS ELECTROLYTE FOR LITHIUM SECONDARY BATTERY, LITHIUM SECONDARY BATTERY PRECURSOR, LITHIUM SECONDARY BATTERY, AND METHOD FOR PRODUCING LITHIUM SECONDARY BATTERY MITSUI CHEMICALS, INC. (JP) 2024-06-06 US disclosed
EP-4310073-A1 LITHIUM (N-CARBONYL)SULFONAMIDE COMPOUND, ADDITIVE FOR LITHIUM SECONDARY BATTERY, NON-AQUEOUS ELECTROLYTE FOR LITHIUM SECONDARY BATTERY, LITHIUM SECONDARY BATTERY PRECURSOR, LITHIUM SECONDARY BATTERY, AND METHOD FOR PRODUCING LITHIUM SECONDARY BATTERY Mitsui Chemicals, Inc. (JP) 2024-01-24 EP disclosed
CN-105829922-B Polymer composition and the method for manufacturing ophthalmic lens using the polymer composition 依视路国际公司 2019-10-25 CN disclosed
CN-105431283-B Increasing material manufacturing for transparent glasses piece 依视路国际公司 2019-09-10 CN disclosed
CN-102078608-B Formulation of human antibodies for treating TNF-alpha related disorders ABBOTT BIOTECHNOLOGY LTD. (BM) 2016-04-13 CN disclosed
US-8362252-B2 Carbostyril compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-01-29 US disclosed
EP-1797082-B1 CARBOSTYRIL COMPOUND OTSUKA PHARMA CO LTD (JP) 2012-08-29 EP disclosed
EP-2426128-A1 Carbostyril compound Otsuka Pharmaceutical Co., Limited (JP) 2012-03-07 EP disclosed
CN-102078608-A Formulation of human antibodies for treating TNF-alpha related disorders ABBOTT LAB BERMUDA LTD 2011-06-01 CN disclosed
EP-1104754-A1 NOVEL SULFONYL DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2001-06-06 EP disclosed
EP-1031563-A1 SULFONYL DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2000-08-30 EP disclosed
US-6096735-A Benzoheterocyclic derivatives OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 2000-08-01 US 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
US-RE34722-E Antiulcer agents OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1994-09-06 US disclosed
US-4578381-A ANTIULCER AGENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1986-03-25 US disclosed
US-4439229-A Substituted phthalimides herbicides ROHM AND HAAS COMPANY (US) 1984-03-27 US disclosed
EP-0068822-A2 Novel heterocyclic substituted benzenes, herbicidal compositions containing them and the use thereof for combating weeds ROHM AND HAAS COMPANY (US) 1983-01-05 EP disclosed