SCHEMBL5080409

SCHEMBL5080409

CC1(C(=O)O)CC=CCC1(C)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR3 O14843 1/20 0.41
CYP3A4 P08684 1/20 0.35
MAPK1 P28482 2/20 0.32
TP53 P04637 1/20 0.32
NFKB1 P19838 1/20 0.32
CYP2C19 P33261 1/20 0.32
THPO P40225 1/20 0.32
STAT6 P42226 1/20 0.32
HIF1A Q16665 1/20 0.32
NPC1 O15118 1/20 0.32
GMNN O75496 1/20 0.32
LMNA P02545 1/20 0.32
MTOR P42345 1/20 0.32
RAB9A P51151 1/20 0.32
BLM P54132 1/20 0.32
PMP22 Q01453 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
HDAC4 P56524 1/20 0.31
APLNR P35414 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
SCHEMBL21950880 1.00 FFAR3 (0.41) FFAR3CYP3A4MAPK1TP53NFKB1
SCHEMBL20715363 1.00 FFAR3 (0.41) FFAR3CYP3A4MAPK1TP53NFKB1
SCHEMBL2463124 1.00 FFAR3 (0.41) FFAR3CYP3A4MAPK1TP53NFKB1
SCHEMBL10782639 0.86 FFAR3 (0.32) FFAR3
SCHEMBL23236342 0.79 CYP3A4 (0.35) FFAR3CYP3A4MAPK1
SCHEMBL23236363 0.79 CYP3A4 (0.35) FFAR3CYP3A4MAPK1
SCHEMBL21950860 0.78 ALDH1A1 (0.31) FFAR3ALDH1A1
SCHEMBL21950861 0.78 ALDH1A1 (0.31) FFAR3ALDH1A1
SCHEMBL21950870 0.78 ALDH1A1 (0.31) FFAR3ALDH1A1
SCHEMBL30892629 0.78 ALDH1A1 (0.31) FFAR3ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7452601-B2 Oxygen scavenger compositions derived from isophthalic acid/or terephthalic acid monomer or derivatives thereof CRYOVAC, INC. (US) 2008-11-18 US claimed
US-20060216445-A1 Oxygen scavenger compositions derived from isophthalic acid/or terephthalic acid monomer or derivatives thereof CRYOVAC, LLC 2006-09-28 US claimed
US-7078100-B2 Oxygen scavenger compositions derived from isophthalic acid and/or terephthalic acid monomer or derivatives thereof CRYOVAC, INC. (US) 2006-07-18 US claimed
EP-1668070-A1 OXYGEN SCAVENGER COMPOSITIONS DERIVED FROM ISOPHTHALIC ACID AND/OR TEREPHTHALIC ACID MONOMERS OR DERIVATIVES THEREOF Cryovac, Inc. (US) 2006-06-14 EP claimed
WO-2005030854-A1 OXYGEN SCAVENGER COMPOSITIONS DERIVED FROM ISOPHTHALIC ACID AND/OR TEREPHTHALIC ACID MONOMERS OR DERIVATIVES THEREOF CRYOVAC, INC. (US) 2005-04-07 WO claimed
US-20050048285-A1 Oxygen scavenger compositions derived from isophthalic acid and/or terephthalic acid monomer or derivatives thereof CRYOVAC, INC. 2005-03-03 US claimed
CN-118063652-A Process for producing propylene copolymers using catalyst systems with improved copolymerization activity 韩华道达尔能源有限公司 2024-05-24 CN disclosed
CN-117924563-A Solid catalyst for preparing polypropylene and method for preparing propylene derivative polymer 韩华道达尔能源有限公司 2024-04-26 CN disclosed
US-11434315-B2 Propylene polymerizing solid catalyst for reducing VOC and method of producing polypropylene using same HANWHA TOTAL PETROCHEMICAL CO., LTD. (KR) 2022-09-06 US disclosed
US-20200172641-A1 Propylene Polymerizing Solid Catalyst For Reducing VOC and Method Of Producing Polypropylene Using Same HANWHA TOTALENERGIES PETROCHEMICAL CO., LTD. (KR) 2020-06-04 US disclosed
EP-3653655-A1 PROPYLENE POLYMERIZING SOLID CATALYST FOR REDUCING VOC AND METHOD OF PRODUCING POLYPROPYLENE USING SAME Hanwha Total Petrochemical Co., Ltd. (KR) 2020-05-20 EP disclosed
US-4140606-A Process for preparing a polymerizable (meth) acrylate oligomer SHOWA DENKO K.K. (JP) 1979-02-20 US disclosed
US-4010289-A METHOD OF MANUFACTURING SYNTHETIC RESIN FILM HAVING HIGH WRITABILITY AND PRINTABILITY SHOWA DENKO KABUSHIKI KAISHA (JA) 1977-03-01 US disclosed