SCHEMBL6249406

SCHEMBL6249406

C=C(CCCC)C(=O)OC#N

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.41
TSHR P16473 5/20 0.41
CES1 P23141 7/20 0.39
CES2 O00748 6/20 0.38
TP53 P04637 1/20 0.35
CA1 P00915 1/20 0.34
GAA P10253 1/20 0.33
AKR1B1 P15121 1/20 0.31
DGKA P23743 1/20 0.31
SLC22A6 Q4U2R8 1/20 0.30
SLC22A8 Q8TCC7 1/20 0.30
GPR84 Q9NQS5 1/20 0.30
PPARG P37231 1/20 0.30
PPARD Q03181 1/20 0.30
PPARA Q07869 1/20 0.30

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
SCHEMBL4707240 0.94 TSHR (0.40) ALDH1A1TSHRCES1CES2AKR1B1
SCHEMBL6021864 0.93 CES2 (0.42) ALDH1A1TSHRCES1CES2DGKA
SCHEMBL28412428 0.93 CES2 (0.42) ALDH1A1TSHRCES1CES2DGKA
SCHEMBL28254932 0.88 ALDH1A1 (0.44) ALDH1A1TSHRCES1CES2
SCHEMBL28024847 0.83 TSHR (0.42) ALDH1A1TSHRSLC22A6SLC22A8GPR84
SCHEMBL11071922 0.80 CES1 (0.52) ALDH1A1CES1CES2TP53CA1
SCHEMBL898886 0.79
SCHEMBL27924473 0.79 CES1 (0.37) ALDH1A1TSHRCES1CES2TP53
SCHEMBL27607745 0.78 ALDH1A1 (0.43) ALDH1A1TSHR
SCHEMBL6916133 0.77 CES1 (0.46) ALDH1A1TSHRCES1CES2TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0767819-A4 pH-MODIFIED BIOCOMPATIBLE MONOMER AND POLYMER COMPOSITIONS TRI POINT MEDICAL CORP (US) 1997-09-24 EP claimed
EP-0767819-A1 pH-MODIFIED BIOCOMPATIBLE MONOMER AND POLYMER COMPOSITIONS TRI-POINT MEDICAL CORPORATION (US) 1997-04-16 EP claimed
WO-1996000760-A1 pH-MODIFIED BIOCOMPATIBLE MONOMER AND POLYMER COMPOSITIONS TRI-POINT MEDICAL CORPORATION (US) 1996-01-11 WO claimed
CN-108883111-A Organic compounds 细胞内治疗公司 2018-11-23 CN disclosed
CN-108138182-A Transthyretin (TTR) iRNA compositions and methods of use thereof to treat or prevent TTR-associated diseases 阿尔尼拉姆医药品有限公司 2018-06-08 CN disclosed
CN-104927779-B A kind of super-hydrophobic microcapsules of phase-change material and preparation method thereof 电子科技大学 2018-05-18 CN disclosed
US-20170326269-A1 EMBOLISATION AGENT THAT CAN SEAL OFF VARICOSITY AND/OR HEMORRHOIDS INVAMED SAGLIK ILAC SANAYI VE TICARET A.S. (TR) 2017-11-16 US disclosed
EP-3243534-A1 AN EMBOLISATION AGENT THAT CAN SEAL OFF VARICOSITY AND/OR HEMORRHOIDS INVAMED SAGLIK ILAC SANAYI VE TICARET A.S. (TR) 2017-11-15 EP disclosed
CN-1297323-C Glue for medical use SHEN WEI (CN) 2007-01-31 CN disclosed
CN-1732962-A Process for preparing nanometer particle of adriacin-PACA-PBCA ZHANG YANGDE (CN) 2006-02-15 CN disclosed
EP-1285945-B1 RESIN COMPOSITION FOR CALENDERING AND POLYOLEFIN MATERIAL FOR LEATHER-LIKE ARTICLE IDEMITSU KOSAN CO (JP) 2005-08-24 EP disclosed
US-6784250-B2 Containing propylene polymer in an amount of 1 to 99 mass %, and an olefin-based polymer in an amount of 99 to 1 mass %; superior in flexibility and transparency IDEMITSU PETROCHEMICAL CO., LTD. (JP) 2004-08-31 US disclosed
US-20030158343-A1 Resin composition for calendering and polyolefin material for leather-like article IDEMITSU KOSAN CO. LTD. (JP) 2003-08-21 US disclosed
EP-1285945-A1 RESIN COMPOSITION FOR CALENDERING AND POLYOLEFIN MATERIAL FOR LEATHER-LIKE ARTICLE IDEMITSU PETROCHEMICAL CO., LTD. (JP) 2003-02-26 EP disclosed