SCHEMBL1767288

SCHEMBL1767288

C=CC(C)CCCC(C)(C)CC(=O)O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.57
CPT2 P23786 1/20 0.57
TDP1 Q9NUW8 1/20 0.57
BHMT Q93088 3/20 0.41
KDM4E B2RXH2 1/20 0.38
CYP2D6 P10635 2/20 0.36
TSHR P16473 2/20 0.36
CYP2C19 P33261 2/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
BLM P54132 1/20 0.36
SLC6A3 Q01959 1/20 0.36
NFKB1 P19838 1/20 0.36
HMGCR P04035 1/20 0.34
CHRM1 P11229 1/20 0.34
TBXA2R P21731 1/20 0.34
ADRA1A P35348 1/20 0.34
HIF1A Q16665 1/20 0.33

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
SCHEMBL8192098 0.87 FFAR1 (0.42) FFAR1CPT2TDP1BHMTCYP2D6
SCHEMBL1220051 0.82 FFAR1 (0.39) FFAR1CPT2TDP1BHMTALOX15
SCHEMBL10583181 0.79 FFAR1 (0.68) FFAR1CPT2TDP1BHMTKDM4E
SCHEMBL4900579 0.78 TET2 (0.38) CYP2D6TSHRCYP2C19MEN1KMT2A
SCHEMBL29618243 0.77 FFAR1 (0.65) FFAR1CPT2TDP1BHMTKDM4E
Acetic Acid SCHEMBL29257654 0.76 MEN1 (0.36) CYP2D6TSHRCYP2C19MEN1KMT2A
SCHEMBL28561498 0.75 MEN1 (0.32) CYP2D6TSHRCYP2C19MEN1KMT2A
SCHEMBL12094525 0.75 FFAR1 (0.68) FFAR1CPT2TDP1BHMTKDM4E
SCHEMBL23576313 0.75 TSHR (0.47) CYP2D6TSHRCYP2C19MEN1KMT2A
SCHEMBL8037883 0.74 FFAR1 (1.00) FFAR1CPT2TDP1BHMTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112898159-B Ester compound and preparation method and application thereof 东莞波顿香料有限公司 2022-08-26 CN disclosed
CN-112898159-A Ester compound and preparation method and application thereof 东莞波顿香料有限公司 2021-06-04 CN disclosed
EP-2254690-B1 STORAGE-STABLE PRODUCT SYSTEMS FOR PREMIX FORMULATIONS, MANUFACTURE AND USE THEREOF EVONIK OPERATIONS GMBH (DE) 2020-11-04 EP disclosed
EP-2323513-B1 SWEAT-ABSORBING SHOE SOLE INSERTS HAVING IMPROVED SWEAT ABSORPTION EVONIK DEGUSSA GMBH (DE) 2015-09-30 EP disclosed
EP-2323513-A1 SWEAT-ABSORBING SHOE SOLE INSERTS HAVING IMPROVED SWEAT ABSORPTION Evonik Degussa GmbH (DE) 2011-05-25 EP disclosed
EP-2254690-A2 STORAGE-STABLE PRODUCT SYSTEMS FOR PREMIX FORMULATIONS Evonik Degussa GmbH (DE) 2010-12-01 EP disclosed
WO-2010003789-A1 SWEAT-ABSORBING SHOE SOLE INSERTS HAVING IMPROVED SWEAT ABSORPTION EVONIK DEGUSSA GMBH (DE) 2010-01-14 WO disclosed
WO-2009100995-A2 STORAGE-STABLE PRODUCT SYSTEMS FOR PREMIX FORMULATIONS EVONIK DEGUSSA GMBH (DE) 2009-08-20 WO disclosed