SCHEMBL5597174

SCHEMBL5597174

CC1(C)OCC(OC(=O)O)O1

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.36
CA2 P00918 2/20 0.36
HCRTR2 O43614 10/20 0.34
HCRTR1 O43613 8/20 0.34
TMEM97 Q5BJF2 2/20 0.33
SIGMAR1 Q99720 2/20 0.33
TBXA2R P21731 1/20 0.31

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
SCHEMBL15151257 0.85 TSHR (0.41) L3MBTL1CA2HCRTR2HCRTR1TMEM97
SCHEMBL28912789 0.85 CA2 (0.37) L3MBTL1CA2HCRTR2HCRTR1
SCHEMBL10374683 0.84 HSD17B1 (0.39) L3MBTL1HCRTR2HCRTR1TMEM97SIGMAR1
SCHEMBL10374015 0.82 CA2 (0.35) L3MBTL1CA2HCRTR2HCRTR1TMEM97
SCHEMBL10965421 0.80 L3MBTL1 (0.37) L3MBTL1CA2HCRTR2HCRTR1
SCHEMBL24082907 0.79 CA2 (0.37) L3MBTL1CA2HCRTR2HCRTR1TMEM97
SCHEMBL3683016 0.79 MAPT (0.33) L3MBTL1CA2
SCHEMBL14700449 0.79 CA2 (0.33) L3MBTL1CA2
SCHEMBL22309795 0.77 CA2 (0.33) L3MBTL1CA2
SCHEMBL29086833 0.76 L3MBTL1 (0.33) L3MBTL1CA2

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
EP-1760083-B1 Rapamycin hydroxyesters, process for their preparation and pharmaceutical compositions containing them WYETH LLC (US) 2011-12-14 EP claimed
EP-1266899-B1 Rapamycin hdroxyesters, process for their preparation and pharmaceutical compositions containing them WYETH CORP (US) 2007-01-03 EP claimed
CN-112770778-A External preparation containing non-lamellar liquid crystal forming lipid 法纳克斯株式会社 2021-05-07 CN disclosed
EP-0189586-B1 PROCESS FOR THE PREPARATION OF SALTS OF 1,3-DIOXOLANE-4-CARBOXYLIC ACIDS Henkel Kommanditgesellschaft auf Aktien (DE) 1989-05-24 EP disclosed
EP-0189586-A1 Process for the preparation of salts of 1,3-dioxolane-4-carboxylic acids Henkel Kommanditgesellschaft auf Aktien (DE) 1986-08-06 EP disclosed