SCHEMBL304176

SCHEMBL304176

O=C(CCc1ccccc1)OCc1ccccc1

nearest known ligand 0.78

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.78
ALDH1A1 P00352 4/20 0.66
MAPK1 P28482 2/20 0.66
L3MBTL1 Q9Y468 2/20 0.66
KEAP1 Q14145 1/20 0.57
CASP1 P29466 1/20 0.56
APP P05067 1/20 0.55
SLC6A2 P23975 1/20 0.55
SLC6A3 Q01959 1/20 0.55
KMT2A Q03164 1/20 0.55
FFAR1 O14842 2/20 0.54
FFAR4 Q5NUL3 1/20 0.54
LMNA P02545 1/20 0.53
MAPT P10636 1/20 0.53

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
Bicarbonate SCHEMBL7699565 0.98 TDP1 (0.75) TDP1ALDH1A1MAPK1L3MBTL1KEAP1
Ammonia Solution, Strong SCHEMBL28588274 0.98 TDP1 (0.75) TDP1ALDH1A1MAPK1L3MBTL1KEAP1
SCHEMBL28207503 0.98 TDP1 (0.75) TDP1ALDH1A1MAPK1L3MBTL1KEAP1
SCHEMBL305392 0.93 TDP1 (0.68) TDP1ALDH1A1MAPK1L3MBTL1CASP1
SCHEMBL3708328 0.91 TDP1 (0.66) TDP1ALDH1A1MAPK1L3MBTL1CASP1
SCHEMBL28450115 0.90 TDP1 (0.64) TDP1ALDH1A1MAPK1L3MBTL1APP
SCHEMBL11286167 0.90 TDP1 (0.64) TDP1ALDH1A1MAPK1L3MBTL1KEAP1
SCHEMBL20824921 0.90 TDP1 (0.64) TDP1ALDH1A1MAPK1L3MBTL1KEAP1
SCHEMBL20224987 0.90 TDP1 (0.64) TDP1ALDH1A1MAPK1L3MBTL1KEAP1
SCHEMBL22162624 0.90 TDP1 (0.64) TDP1ALDH1A1MAPK1L3MBTL1KEAP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118812412-A Preparation method of spirotrienone and coumarin and derivatives thereof 黄淮学院 2024-10-22 CN claimed
CN-118162196-A Heterogeneous catalyst for synthesizing benzyl phenylpropionate compound 中国石油化工股份有限公司 2024-06-11 CN claimed
US-10995198-B2 Monobenzoate analogs useful as plasticizers in plastisol compositions EMERALD KALAMA CHEMICAL, LLC (US) 2021-05-04 US claimed
US-20200131332-A1 MONOBENZOATE ANALOGS USEFUL AS PLASTICIZERS IN PLASTISOL COMPOSITIONS EMERALD KALAMA CHEMICAL, LLC 2020-04-30 US claimed
EP-3197948-B1 MONOBENZOATE ANALOGS USEFUL AS PLASTICIZERS IN PLASTISOL COMPOSITIONS EMERALD KALAMA CHEMICAL LLC (US) 2020-04-01 EP claimed
US-20170253725-A1 MONOBENZOATE ANALOGS USEFUL AS PLASTICIZERS IN PLASTISOL COMPOSITIONS EMERALD KALAMA CHEMICAL, LLC 2017-09-07 US claimed
CN-106715557-A9 Monobenzoate analogs useful as plasticizers in plastisol compositions 艾默罗德卡拉玛化学品公司 2017-08-25 CN claimed
EP-3197948-A1 MONOBENZOATE ANALOGS USEFUL AS PLASTICIZERS IN PLASTISOL COMPOSITIONS Emerald Kalama Chemical, LLC (US) 2017-08-02 EP claimed
WO-2016049479-A1 MONOBENZOATE ANALOGS USEFUL AS PLASTICIZERS IN PLASTISOL COMPOSITIONS EMERALD KALAMA CHEMICAL, LLC (US) 2016-03-31 WO claimed
CN-102417468-A Synthetic method of lambdacyhalothrin hapten LIBING WANG 2012-04-18 CN claimed
EP-0272063-B1 MITOMYCIN DERIVATIVES KYOWA HAKKO KOGYO KABUSHIKI KAISHA (JP) 1992-04-08 EP claimed
US-4863935-A Mitomycin compounds having useful anti-tumor activity KYOWA HAKKO KOGYO K.K. (JP) 1989-09-05 US claimed
CN-118162196-A Heterogeneous catalyst for synthesizing benzyl phenylpropionate compound 中国石油化工股份有限公司 2024-06-11 CN disclosed
CN-118162196-A Heterogeneous catalyst for synthesizing benzyl phenylpropionate compound 中国石油化工股份有限公司 2024-06-11 CN disclosed
CN-118162196-A Heterogeneous catalyst for synthesizing benzyl phenylpropionate compound 中国石油化工股份有限公司 2024-06-11 CN disclosed
US-20240102898-A1 IMPROVED METHOD FOR OPTICALLY CLEARING A TISSUE SAMPLE FOR A LIGHT MICROSCOPY EXAMINATION MobiCron GmbH (DE) 2024-03-28 US disclosed
EP-0272063-A1 Mitomycin derivatives KYOWA HAKKO KOGYO KABUSHIKI KAISHA (JP) 1988-06-22 EP disclosed
EP-0272063-A1 Mitomycin derivatives KYOWA HAKKO KOGYO KABUSHIKI KAISHA (JP) 1988-06-22 EP disclosed
CN-86105870-A Band 5-amino-2, the blood vessel tension peptide protoenzyme inhibitor of 5-two replacement-4-hydroxypentanoic acid bases 1987-03-11 CN disclosed
US-3998641-A A 2-CYCLOTETRAMETHYLENE SULFONE-CONTAINING BETA-KETOACETANILIDE AGFA-GEVAERT, A.G. (DT) 1976-12-21 US disclosed