SCHEMBL1296402

SCHEMBL1296402

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ANPEP P15144 1/20 0.37
BTK Q06187 1/20 0.37
EPHX2 P34913 2/20 0.35
ATM Q13315 1/20 0.34
ACE P12821 1/20 0.33
AKR1C3 P42330 1/20 0.33
AKR1C1 Q04828 1/20 0.33
SLC6A1 P30531 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
SLC6A11 P48066 1/20 0.32
TSHR P16473 1/20 0.32
LMNA P02545 1/20 0.32
SLC6A13 Q9NSD5 1/20 0.32
KMT2A Q03164 2/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
PPM1B O75688 1/20 0.32
PTPN1 P18031 1/20 0.32
PPP1CC P36873 1/20 0.32
HTT P42858 1/20 0.32
TDP1 Q9NUW8 1/20 0.32

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
SCHEMBL1296404 0.93 EPHX2 (0.38) EPHX2ATMSMN1; SMN2TSHRKMT2A
SCHEMBL1297942 0.90 MEN1 (0.34) ANPEPBTKEPHX2ATMACE
Ethylene Glycol SCHEMBL1296799 0.87 PPM1B (0.44) ANPEPBTKEPHX2SMN1; SMN2KMT2A
SCHEMBL27699230 0.85 SMN1; SMN2 (0.42) ATMSMN1; SMN2TSHRKMT2AL3MBTL1
Ethylene Glycol SCHEMBL1296766 0.84 EPHX2 (0.46) BTKEPHX2ATMTSHRPPM1B
SCHEMBL1296801 0.84 EPHX2 (0.42) EPHX2SMN1; SMN2KMT2APPM1BPTPN1
SCHEMBL1296447 0.84 ALDH1A1 (0.46) EPHX2SMN1; SMN2KMT2AHTTALDH1A1
SCHEMBL1296845 0.84 PPM1B (0.47) ANPEPBTKEPHX2SMN1; SMN2KMT2A
SCHEMBL7910526 0.84 PPM1B (0.47) ANPEPBTKEPHX2SMN1; SMN2KMT2A
SCHEMBL1297113 0.84 EPHX2 (0.40) EPHX2SMN1; SMN2KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-20050106405-A1 Single piece closure device made of pvc BASF AKTIENGESELLSCHAFT (DE) 2005-05-19 US disclosed