SCHEMBL8958982

SCHEMBL8958982

CC(C)(C)Oc1ccc(CC2C(=O)OC(C)(C)OC2=O)cc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLA P06280 1/20 0.71
NPSR1 Q6W5P4 1/20 0.71
HDAC8 Q9BY41 2/20 0.35
HDAC6 Q9UBN7 2/20 0.35
HDAC2 Q92769 1/20 0.35
MEN1 O00255 2/20 0.34
ALDH1A1 P00352 2/20 0.34
KMT2A Q03164 2/20 0.34
LMNA P02545 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
USP2 O75604 2/20 0.33
POLB P06746 2/20 0.33
KDM4C Q9H3R0 2/20 0.33
KDM4A O75164 1/20 0.33
ALOX15 P16050 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
TLR9 Q9NR96 1/20 0.33
MDM2 Q00987 1/20 0.33
ACACB O00763 2/20 0.33
PPARA Q07869 2/20 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
SCHEMBL12746561 0.87 GLA (0.69) GLANPSR1ALDH1A1MDM2
SCHEMBL8958986 0.86 GLA (0.57) GLANPSR1ALDH1A1MDM2PPARA
SCHEMBL15569868 0.83 NPSR1 (1.00) GLANPSR1MEN1ALDH1A1KMT2A
SCHEMBL16374867 0.81 GLA (0.73) GLANPSR1MEN1ALDH1A1KMT2A
SCHEMBL8247280 0.78 GLA (0.69) GLANPSR1HDAC6MEN1ALDH1A1
SCHEMBL9193771 0.78 GLA (0.69) GLANPSR1MEN1ALDH1A1KMT2A
SCHEMBL3363159 0.77 GLA (0.43) GLANPSR1HDAC8HDAC6HDAC2
SCHEMBL15647719 0.76 GLA (0.67) GLANPSR1MEN1ALDH1A1KMT2A
SCHEMBL15570301 0.76 GLA (0.67) GLANPSR1ALDH1A1LMNASMN1; SMN2
SCHEMBL16460894 0.76 GLA (0.67) GLANPSR1MEN1ALDH1A1KMT2A

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 9 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-0384523-B1 New gem-diamino derivatives and their use in the synthesis of retro-inverso peptides ENIRICERCHE SPA (IT) 1994-06-01 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-5219988-A GEM-DIAMINO DERIVATIVES AND THEIR USE IN THE SYNTHESIS OF RETRO-INVERSO PEPTIDES ENIRICERCHE S.P.A. (IT) 1993-06-15 US 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
EP-0384523-A2 New gem-diamino derivatives and their use in the synthesis of retro-inverso peptides ENIRICERCHE S.p.A. (IT) 1990-08-29 EP disclosed