SCHEMBL8958986

SCHEMBL8958986

CC(C)(C)Oc1cccc(CC2C(=O)OC(C)(C)OC2=O)c1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GLA P06280 1/20 0.57
NPSR1 Q6W5P4 1/20 0.57
MDM2 Q00987 3/20 0.35
CMA1 P23946 1/20 0.35
PPARG P37231 3/20 0.34
PPARA Q07869 3/20 0.34
DAO P14920 2/20 0.33
CETP P11597 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPK1 P28482 1/20 0.33
HSD17B10 Q99714 1/20 0.33
MAOB P27338 1/20 0.32
CHRM2 P08172 1/20 0.32
CHRM1 P11229 1/20 0.32
CHRM3 P20309 1/20 0.32
SOD1 P00441 1/20 0.31
ITGB1 P05556 1/20 0.31
ITGA4 P13612 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
SCHEMBL8958982 0.86 GLA (0.71) GLANPSR1MDM2PPARGPPARA
SCHEMBL3097423 0.81 GLA (0.52) GLANPSR1MAOB
SCHEMBL7417047 0.78 GLA (0.66) GLANPSR1MDM2
SCHEMBL16645282 0.76 GLA (0.52) GLANPSR1MDM2
SCHEMBL15648921 0.76 GLA (0.52) GLANPSR1MDM2DAOMAOB
SCHEMBL3088858 0.76 GLA (0.52) GLANPSR1MDM2DAOMAOB
SCHEMBL16632922 0.76 GLA (0.49) GLANPSR1DAO
SCHEMBL12746561 0.74 GLA (0.69) GLANPSR1MDM2DAOALDH1A1
SCHEMBL6811281 0.73 GLA (0.49) GLANPSR1MDM2DAOMAOB
SCHEMBL15569868 0.73 NPSR1 (1.00) GLANPSR1CMA1ALDH1A1

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
EP-0393786-B1 New retro-inverse, one- or more bond bearing analogues of thymopentin, a method for synthesizing the same and their employment for the preparation of pharmaceutical SCLAVO SPA (IT) 1996-01-17 EP disclosed
EP-0406931-B1 New analogues of all-bond retroinverted thymopentin, the method for the synthesis of the same and their employment for the preparation of pharmaceutical compositions SCLAVO SPA (IT) 1995-03-15 EP disclosed
EP-0375040-B1 Process for the preparation of retro-inverso peptides and new intermediates thereof SCLAVO SPA (IT) 1994-03-16 EP disclosed
US-5116947-A PROCESS FOR THE PREPARATION OF RETRO-INVERSO PEPTIDES AND NEW INTERMEDIATES THEREOF SCLAVO S.P.A. (IT) 1992-05-26 US disclosed
US-5061811-A PROCESS FOR THE PREPARATION OF RETRO-INVERSO PEPTIDES AND 1,3-DIOXANE-4,6-DIONE INTERMEDIATES THEREOF SCLAVO S.P.A. (IT) 1991-10-29 US disclosed
EP-0393786-A1 New retro-inverse, one- or more bond bearing analogues of thymopentin, a method for synthesizing the same and their employment for the preparation of pharmaceutical SCLAVO S.p.A. (IT) 1990-10-24 EP disclosed