SCHEMBL7684763

SCHEMBL7684763

CCCCCCCCc1cccc(C(OC(C)=O)C(COC(C)=O)NC(C)=O)n1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.43
PRKCA P17252 2/20 0.36
TLR2 O60603 1/20 0.34
PPARG P37231 1/20 0.33
PPARA Q07869 1/20 0.33
LMNA P02545 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MTNR1A P48039 1/20 0.33
PDE5A O76074 1/20 0.33
ACACB O00763 1/20 0.32
LTB4R Q15722 1/20 0.32

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
SCHEMBL7686751 1.00 KCNH2 (0.43) KCNH2PRKCATLR2PPARGPPARA
SCHEMBL7678414 1.00 KCNH2 (0.43) KCNH2PRKCATLR2PPARGPPARA
SCHEMBL7685566 0.82 CYP3A4 (0.37) KCNH2PRKCALMNASMN1; SMN2
SCHEMBL7682735 0.82 PRKCA (0.39) PRKCALTB4R
SCHEMBL7689010 0.82 CYP3A4 (0.37) KCNH2PRKCALMNASMN1; SMN2
SCHEMBL7683049 0.82 CYP3A4 (0.37) KCNH2PRKCALMNASMN1; SMN2
SCHEMBL7680431 0.82 CYP3A4 (0.37) KCNH2PRKCALMNASMN1; SMN2
SCHEMBL7682954 0.80 LMNA (0.33) PRKCALMNASMN1; SMN2ACACB
SCHEMBL7689149 0.78 KCNH2 (0.49) KCNH2LTB4R
SCHEMBL7682944 0.78 KCNH2 (0.49) KCNH2LTB4R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5360811-A 1-alkyl-, 1-alkenyl-, and 1-alkynylaryl-2-amino-1,3-propanediols and related compounds as anti-inflammatory agents HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1994-11-01 US claimed
US-6500849-B1 ADMINISTERING ANTIINFLAMMATORY, ANTIPROLIFERATIVE, NOOTROPIC OR ANTIGROWTH AGENTS, SUCH AS 6-(1-DODECYNYL)-2-PYRIDINE-CARBOXALDEHYDE AND ENANTIOMORPHS TO MAMMALS; ALZHEIMERS DISEASE AVENTIS PHARMACEUTICALS INC. 2002-12-31 US disclosed
US-5977147-A ANTITUMOR HOECHST MARION ROUSSEL (US) 1999-11-02 US disclosed
US-5614631-A ANTIINFLAMMATORY AGENTS, ANTIGROWTH AGENTS, NOOTROPIC AGENTS, BACTERICIDES, FUNGICIDES HOECHST MARION ROUSSEL, INC. (US) 1997-03-25 US disclosed
US-5597838-A REDUCING INFLAMMATION AND CELL PROLIFERATION, RELIEVING MEMORY DYSFUNCTION, INHIBITING BACTERIAL AND FUNGAL GROWTH HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1997-01-28 US disclosed
US-5574164-A 1-alkyl-,1-alkenyl-, and 1-alkynylaryl-2-amino-1,3-propanediols and related compounds HOESCHT ROUSSEL PHARMACEUTICALS INC. (US) 1996-11-12 US disclosed
US-5571923-A 3-/1-DODECYL/-5-ISOXAZOLEMETHANOL INTERMEDIATE HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1996-11-05 US disclosed
US-5565584-A CHEMICAL INTERMEDIATES HOECHST-ROUSSEL PHARMACEUTICALS, INC. (US) 1996-10-15 US disclosed
US-5557006-A 1-Alkyl-, 1-alkenyl-, and 1-alkynylaryl-2-amino-1,3-propanediols and related compounds HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1996-09-17 US disclosed
US-5550247-A ANTIINFLAMMATORY AGENT, ANTITUMOR AGENT, COGNITION ACTIVATORS, BACTERICIDES, FUNGICIDES HOECHST ROUSSEL PHARMACEUTICALS INC. (US) 1996-08-27 US disclosed
US-5534640-A REDUCING INFLAMMATION AND CELL PROLIFERATION, COGNITION ACTIVATORS, BACTERIOSTATS, FUNGISTATS HOECHST ROUSSEL PHARMACEUTICALS INC. (US) 1996-07-09 US disclosed
US-5534636-A ANTIINFLAMMATORY AGENTS, ANTITUMOR AGENT, COGNITION ACTIVATORS,BACTERICIDES, AND FUNGICIDES HOECHST ROUSSEL PHARMACEUTICALS INC. (US) 1996-07-09 US disclosed
US-5519062-A ANTIINFLAMMATORY HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1996-05-21 US disclosed
US-5488063-A ANTIINFLAMMATORY, ANTICARACINOGENIC AGENTS; BACTERICIDES, FUNGICIDES HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1996-01-30 US disclosed
US-5488061-A ANTIINFLAMMATORY, ANTICARACINOGENIC AGENTS; BACTERICIDES, FUNGICIDES HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1996-01-30 US disclosed
EP-0446798-B1 1-alkyl-, 1-alkenyl- and 1-alkynylaryl-2-amino-1, 3-propanediols and related compounds, a process and intermediates for their preparation and their use as medicaments HOECHST ROUSSEL PHARMA (US) 1994-11-23 EP disclosed
US-5360811-A 1-alkyl-, 1-alkenyl-, and 1-alkynylaryl-2-amino-1,3-propanediols and related compounds as anti-inflammatory agents HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1994-11-01 US disclosed
EP-0446798-A1 1-alkyl-, 1-alkenyl- and 1-alkynylaryl-2-amino-1, 3-propanediols and related compounds, a process and intermediates for their preparation and their use as medicaments HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1991-09-18 EP disclosed