SCHEMBL2158706

SCHEMBL2158706

C=CCOC(=O)C(=O)OCCCCCCC

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 6/20 0.61
NAAA Q02083 1/20 0.50
HPGD P15428 1/20 0.48
HCAR2 Q8TDS4 2/20 0.47
RAD52 P43351 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
EPHX1 P07099 1/20 0.47
ALDH1A1 P00352 2/20 0.44
CYP3A4 P08684 1/20 0.44
ATM Q13315 1/20 0.42
FAAH O00519 1/20 0.42
LMNA P02545 1/20 0.42
ACHE P22303 4/20 0.42

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
SCHEMBL31069706 1.00 TSHR (0.61) TSHRNAAAHPGDHCAR2RAD52
SCHEMBL2352256 1.00 TSHR (0.61) TSHRNAAAHPGDHCAR2RAD52
SCHEMBL6449183 0.98 TSHR (0.58) TSHRNAAAHPGDHCAR2RAD52
SCHEMBL27377604 0.91 TSHR (0.54) TSHRNAAAHPGDHCAR2RAD52
SCHEMBL9788553 0.90 TSHR (0.77) TSHRNAAAHPGDHCAR2RAD52
SCHEMBL930891 0.90 TSHR (0.77) TSHRNAAAHPGDHCAR2RAD52
SCHEMBL15130313 0.88 TSHR (0.74) TSHRNAAAHPGDHCAR2RAD52
SCHEMBL6274691 0.86 TSHR (0.53) TSHRNAAAHPGDHCAR2RAD52
SCHEMBL10948447 0.85 TSHR (0.61) TSHRNAAAHPGDHCAR2RAD52
SCHEMBL9718041 0.84 TSHR (0.48) TSHRHPGDHCAR2ALDH1A1CYP3A4

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
EP-2413692-B1 COMPOSITIONS OF VOLATILE ORGANIC COMPOUNDS AND METHODS OF USE THEREOF SYNTHETIC GENOMICS INC (US) 2018-08-29 EP disclosed
US-20150173356-A1 COMPOSITIONS OF VOLATILE ORGANIC COMPOUNDS AND METHODS OF USE THEREOF SYNTHETIC GENOMICS, INC. 2015-06-25 US disclosed
US-8968798-B2 Compositions of volatile organic compounds and methods of use thereof SYNTHETIC GENOMICS, INC. (US) 2015-03-03 US disclosed
US-20130224315-A1 Compositions of Volatile Organic Compounds and Methods of User Thereof SYNTHETIC GENOMICS, INC. (US) 2013-08-29 US disclosed
US-8425946-B2 Compositions of volatile organic compounds and methods of use thereof SYNTHETIC GENOMICS, INC. (US) 2013-04-23 US disclosed
US-20110182862-A1 ENDOPHYTIC FUNGUS AND USES THEREFOR SYNTHETIC GENOMICS, INC. 2011-07-28 US disclosed
US-20100255124-A1 COMPOSITIONS OF VOLATILE ORGANIC COMPOUNDS AND METHODS OF USE THEREOF SYNTHETIC GENOMICS, INC. (US) 2010-10-07 US disclosed