SCHEMBL1297017

SCHEMBL1297017

CCCCCCCCOC(=O)C1CCCCC1C(=O)OCCO

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.46
THRB P10828 1/20 0.46
HTT P42858 1/20 0.46
KMT2A Q03164 1/20 0.46
MAPT P10636 1/20 0.46
TSHR P16473 2/20 0.45
NAAA Q02083 3/20 0.44
RAD52 P43351 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
EPHX1 P07099 1/20 0.42
CHRM2 P08172 1/20 0.42
CHRM4 P08173 1/20 0.42
CHRM5 P08912 1/20 0.42
CHRM1 P11229 1/20 0.42
CHRM3 P20309 1/20 0.42
ACHE P22303 4/20 0.41

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
SCHEMBL1295934 1.00 MEN1 (0.46) MEN1THRBHTTKMT2AMAPT
SCHEMBL1296165 1.00 MEN1 (0.46) MEN1THRBHTTKMT2AMAPT
SCHEMBL1296501 1.00 MEN1 (0.46) MEN1THRBHTTKMT2AMAPT
SCHEMBL1296189 1.00 MEN1 (0.46) MEN1THRBHTTKMT2AMAPT
SCHEMBL1296537 1.00 MEN1 (0.46) MEN1THRBHTTKMT2AMAPT
SCHEMBL1296486 0.98 MEN1 (0.43) MEN1THRBHTTKMT2AMAPT
SCHEMBL1295946 0.93 TSHR (0.44) MEN1THRBHTTKMT2AMAPT
SCHEMBL1296972 0.93 NAAA (0.50) TSHRNAAARAD52NPSR1EPHX1
SCHEMBL1296748 0.93 NAAA (0.50) TSHRNAAARAD52NPSR1EPHX1
SCHEMBL1297187 0.93 NAAA (0.50) TSHRNAAARAD52NPSR1EPHX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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