SCHEMBL1297352

SCHEMBL1297352

CCCCCC(CCC)COCCOC(=O)C1CCC(C(=O)O)CC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP9 P14780 1/20 0.38
MMP8 P22894 1/20 0.38
MMP14 P50281 1/20 0.38
TLR2 O60603 2/20 0.35
CYP3A4 P08684 2/20 0.35
PPM1B O75688 1/20 0.35
PTPN1 P18031 1/20 0.35
PPP1CC P36873 1/20 0.35
PLA2G2C Q5R387 2/20 0.34
PPARG P37231 3/20 0.33
AKT1 P31749 1/20 0.33
AKT2 P31751 1/20 0.33
AKT3 Q9Y243 1/20 0.33
S1PR5 Q9H228 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C19 P33261 1/20 0.33
S1PR1 P21453 1/20 0.32
PRSS1 P07477 1/20 0.32
PRSS2 P07478 1/20 0.32
PRSS3 P35030 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
SCHEMBL1297939 0.89 MMP9 (0.50) MMP9MMP8MMP14CYP3A4PPM1B
SCHEMBL1298128 0.88 PRSS1 (0.38) CYP3A4PPM1BPTPN1PPP1CCS1PR5
SCHEMBL1297621 0.88 EPHX2 (0.39) MMP9MMP8MMP14TLR2CYP3A4
Ethylene Glycol SCHEMBL1297350 0.85 PRSS1 (0.36) CYP3A4PPM1BPTPN1PPP1CCS1PR5
SCHEMBL1297156 0.83 MMP9 (0.39) MMP9MMP8MMP14TLR2CYP3A4
SCHEMBL1297655 0.83 PPM1B (0.38) TLR2CYP3A4PPM1BPTPN1PPP1CC
SCHEMBL1297436 0.83 NAAA (0.40) TLR2CYP3A4PLA2G2CPPARGPRSS1
SCHEMBL1297164 0.83 PRSS1 (0.38) CYP3A4PPARGPRSS1PRSS2PRSS3
SCHEMBL1295951 0.82 TSHR (0.41) CYP3A4PRSS1PRSS2PRSS3
SCHEMBL1297790 0.82 NAAA (0.42) TLR2CYP3A4PLA2G2CPPARGPRSS1

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