SCHEMBL1296404

SCHEMBL1296404

O=C(OCCO)C1CCCC(C(=O)OCCO)C1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.38
KMT2A Q03164 3/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
HTT P42858 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
TSHR P16473 1/20 0.34
ALDH1A1 P00352 4/20 0.34
MEN1 O00255 1/20 0.34
ATM Q13315 1/20 0.34
ADRB2 P07550 1/20 0.33
ADRB1 P08588 1/20 0.33
ADRB3 P13945 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.32
HPGD P15428 1/20 0.32
PAX8 Q06710 1/20 0.32
MAPT P10636 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
SCHEMBL1296402 0.93 ANPEP (0.37) EPHX2KMT2ASMN1; SMN2HTTTDP1
SCHEMBL27699230 0.91 SMN1; SMN2 (0.42) KMT2ASMN1; SMN2HTTTDP1TSHR
SCHEMBL1296801 0.91 EPHX2 (0.42) EPHX2KMT2ASMN1; SMN2TDP1ALDH1A1
SCHEMBL1297113 0.91 EPHX2 (0.40) EPHX2KMT2ASMN1; SMN2ALDH1A1MEN1
SCHEMBL1296447 0.91 ALDH1A1 (0.46) EPHX2KMT2ASMN1; SMN2HTTALDH1A1
SCHEMBL1296767 0.88 EPHX2 (0.49) EPHX2KMT2AHTTTSHRALDH1A1
SCHEMBL1297166 0.87 TSHR (0.39) KMT2ATSHRMEN1
SCHEMBL1297253 0.87 EPHX2 (0.35) EPHX2KMT2ASMN1; SMN2ALDH1A1MEN1
SCHEMBL1296609 0.87 KMT2A (0.37) EPHX2KMT2ASMN1; SMN2HTTTSHR
SCHEMBL1296787 0.87 CHRM2 (0.37) EPHX2KMT2ASMN1; SMN2HTTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150105485-A1 URETHANE FOAM RUBBER AND COMPOSITION FOR FORMING URETHANE FOAM RUBBER YAMAHA CORPORATION (JP) 2015-04-16 US disclosed
EP-2860208-A1 Urethane foam rubber and composition for forming urethane foam rubber YAMAHA CORPORATION (JP) 2015-04-15 EP disclosed
US-8889748-B2 Process for producing expandable styrene polymer compositions BASF SE (DE) 2014-11-18 US disclosed
US-8454744-B2 Use of polyols and cyclohexane polycarboxylic acid derivatives for the removal of dust from chemical construction products CONSTRUCTION RESEARCH & TECHNOLOGY GMBH (DE) 2013-06-04 US disclosed
US-20120138206-A1 ADHESIVES AND SEALANTS CONTAINING CYCLOHEXANE POLYCARBOXYLIC ACID DERIVATIVES BASF SE (DE) 2012-06-07 US disclosed
US-20110291040-A1 PROCESS FOR PRODUCING EXPANDABLE STYRENE POLYMER COMPOSITIONS BASF SE (DE) 2011-12-01 US disclosed
US-20110265693-A1 Use Of Polyols And Cyclohexane Polycarboxylic Acid Derivatives For The Removal Of Dust From Chemical Construction Products Construction Research & Tecnology GMBH (DE) 2011-11-03 US disclosed
US-7337913-B2 Single piece closure device made of PVC BASF AKTIENGESELLSCHAFT (DE) 2008-03-04 US disclosed
CN-1784203-A Cosmetic composition containing cyclohexane polycarboxylic acid derivative BASF AG (DE) 2006-06-07 CN disclosed
US-20050106405-A1 Single piece closure device made of pvc BASF AKTIENGESELLSCHAFT (DE) 2005-05-19 US disclosed
US-20030036620-A1 From an aromatic isocyanate having a structure in which the isocyanate groups are not directly bonded to a benzene ring, an aliphatic isocyanate, an alicyclic isocyanate, and derivatives of these isocyanates. MITSUI CHEMICALS, INC. (JP) 2003-02-20 US disclosed
EP-1167416-A1 URETHANE RESIN COMPOSITION FOR SEALING OPTOELECTRIC CONVERSION DEVICES Mitsui Chemicals, Inc. (JP) 2002-01-02 EP disclosed