SCHEMBL516502

SCHEMBL516502

C=C(CCC)C(=O)ON(CC)CC

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.34
CES2 O00748 1/20 0.33
CES1 P23141 1/20 0.33
FFAR3 O14843 3/20 0.32
HDAC3 O15379 3/20 0.32
HDAC1 Q13547 3/20 0.32
HDAC2 Q92769 3/20 0.32
HDAC8 Q9BY41 3/20 0.32
TSHR P16473 1/20 0.31

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 SCHEMBL27790657 0.98 ALDH1A1 (0.33) ALDH1A1CES2CES1FFAR3HDAC3
SCHEMBL27766915 0.88 CES1 (0.38) ALDH1A1CES2CES1TSHR
SCHEMBL27550903 0.86 ALDH1A1 (0.33) ALDH1A1CES2CES1FFAR3HDAC3
SCHEMBL27727626 0.85 CES2 (0.42) ALDH1A1CES2CES1TSHR
SCHEMBL27748644 0.85 CES2 (0.42) ALDH1A1CES2CES1TSHR
SCHEMBL515925 0.83
SCHEMBL17139832 0.82 CA12 (0.34) ALDH1A1CES2CES1TSHR
SCHEMBL516340 0.81 KDM6B (0.39) ALDH1A1CES2CES1FFAR3HDAC3
SCHEMBL11518022 0.80 TSHR (0.40) ALDH1A1CES2CES1TSHR
Ethyl Chloride SCHEMBL5488694 0.78

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111057803-A Amphoteric polymer retanning agent for ecological leather manufacturing and preparation method thereof 安徽银河皮革有限公司 2020-04-24 CN claimed
CN-104797245-A Propynylaminoindan transdermal compositions TEIKOKU PHARMA USA INC 2015-07-22 CN claimed
US-20150094448-A1 SMART POLYMER MATERIALS WITH EXCESS REACTIVE MOLECULES MEDIPACS, INC. 2015-04-02 US claimed
EP-2847249-A1 SMART POLYMER MATERIALS WITH EXCESS REACTIVE MOLECULES Medipacs, Inc. (US) 2015-03-18 EP claimed
WO-2013138524-A1 SMART POLYMER MATERIALS WITH EXCESS REACTIVE MOLECULES MEDIPACS, INC. (US) 2013-09-19 WO claimed
CN-103102448-A Preparation method of molecularly imprinted polymer capable of simultaneously identifying quinoxaline-2-carboxylic acid and 3-methyl- quinoxaline-2-carboxylic acid UNIV TIANJIN SCIENCE & TECH 2013-05-15 CN claimed
CN-1868444-B Cosmetic composition containing dispersion of polymer particle, the dispersion of polymer particle and cosmetic process using the same composition OREAL 2011-11-16 CN claimed
CN-1808289-B Method for producing electrophotographic toner KONICA MINOLTA CORP 2010-05-12 CN claimed
CN-1910247-A Orientated acrylate adhesive materials, method for the production and use thereof TESA AG (DE) 2007-02-07 CN claimed
CN-1868444-A Cosmetic composition containing dispersion of polymer particle, the dispersion of polymer particle and cosmetic process using the same composition OREAL (FR) 2006-11-29 CN claimed
CN-1808289-A Method for producing electrophotographic toner KONICA MINOLTA BUSINESS TECH (JP) 2006-07-26 CN claimed
CN-1263441-C Composition for keratin fiber oxidation dyeing OREAL (FR) 2006-07-12 CN claimed
CN-1518973-A Compsn. of oxydation dyeing of keratin fiber ���ŷ� 2004-08-11 CN claimed
CN-1506036-A Composition for keratin fiber oxidation dyeing ���ŷ� 2004-06-23 CN claimed
CN-1506037-A Composition for keratin fiber oxidation dyeing 欧莱雅 2004-06-23 CN claimed
CN-1095097-C Toner for developing electrostatic images and process for producing toner CANON KK (JP) 2002-11-27 CN claimed
CN-1378576-A Pigment dispersions containing ABC-block polymer dispersant DU PONT (US) 2002-11-06 CN claimed
CN-1100208-A Toner for developing electrostatic images and process for producing toner CANON KK (JP) 1995-03-15 CN claimed
CN-111057803-A Amphoteric polymer retanning agent for ecological leather manufacturing and preparation method thereof 安徽银河皮革有限公司 2020-04-24 CN disclosed
CN-1100208-A Toner for developing electrostatic images and process for producing toner CANON KK (JP) 1995-03-15 CN disclosed