SCHEMBL3518082

SCHEMBL3518082

CCCC(=O)OC(=O)CCCC(=O)O

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.68
TSHR P16473 5/20 0.58
FFAR3 O14843 1/20 0.52
HDAC3 O15379 1/20 0.52
HDAC1 Q13547 1/20 0.52
HDAC2 Q92769 1/20 0.52
HDAC8 Q9BY41 1/20 0.52
AKR1B1 P15121 1/20 0.52
GPR84 Q9NQS5 7/20 0.50
PPARG P37231 7/20 0.50
PPARD Q03181 7/20 0.50
PPARA Q07869 7/20 0.50
HDAC11 Q96DB2 5/20 0.50
PTPN1 P18031 3/20 0.50
SLC22A6 Q4U2R8 2/20 0.50
TLR2 O60603 2/20 0.50
TDP1 Q9NUW8 2/20 0.50
FABP4 P15090 2/20 0.50
KMT2A Q03164 2/20 0.50
SLC22A8 Q8TCC7 1/20 0.50

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
SCHEMBL1160657 0.95 ALDH1A1 (0.68) ALDH1A1TSHRFFAR3HDAC3HDAC1
SCHEMBL14893175 0.93 ALDH1A1 (0.65) ALDH1A1TSHRAKR1B1GPR84PPARG
Butane SCHEMBL4186449 0.93 TSHR (0.60) ALDH1A1TSHRFFAR3HDAC3HDAC1
Butane SCHEMBL7798141 0.91 TSHR (0.58) ALDH1A1TSHRFFAR3HDAC3HDAC1
Valeric Acid SCHEMBL28919495 0.88 AKR1B1 (0.61) ALDH1A1TSHRFFAR3HDAC3HDAC1
SCHEMBL16632868 0.88 TSHR (0.60) ALDH1A1TSHRAKR1B1GPR84PPARG
Butyric Acid SCHEMBL27973721 0.88 ALDH1A1 (0.79) ALDH1A1TSHRFFAR3HDAC3HDAC1
SCHEMBL1289888 0.88 SLC22A6 (0.65) ALDH1A1TSHRHDAC3HDAC1HDAC2
SCHEMBL19925 0.88 SLC22A6 (0.65) ALDH1A1TSHRHDAC3HDAC1HDAC2
SCHEMBL1897676 0.87 GPR84 (0.71) ALDH1A1TSHRAKR1B1GPR84PPARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11688519-B2 Method and system for monitoring the gut health of an individual TATA CONSULTANCY SERVICES LIMITED (IN) 2023-06-27 US disclosed
CN-113677355-A Microbial compositions and methods of use 潘德勒姆治疗公司 2021-11-19 CN disclosed
EP-2189476-B1 NOVEL POLYPEPTIDE AND PRODUCTION METHOD THEREOF NAT UNIV CORP NARA INST (JP) 2013-02-13 EP disclosed
US-8357774-B2 Polypeptide and process for producing the same National University Corporation NARA Institute of Science and Technology (JP) 2013-01-22 US disclosed
US-20100286368-A1 NOVEL POLYPEPTIDE AND PROCESS FOR PRODUCING THE SAME National University Corporation NARA Institute of Science and Technology 2010-11-11 US disclosed
EP-2189476-A1 NOVEL POLYPEPTIDE AND PRODUCTION METHOD THEREOF National University Corporation Nara Institute of Science and Technology (JP) 2010-05-26 EP disclosed