SCHEMBL10001634

SCHEMBL10001634

C#CCOc1ccc(C[C@H](N)C(=O)OC)cc1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ LTA4H P09960 2/20 0.47
▸ ALDH1A1 P00352 1/20 0.43
▸ CA12 O43570 1/20 0.43
▸ CA1 P00915 1/20 0.43
▸ CA2 P00918 1/20 0.43
▸ CA4 P22748 1/20 0.43
▸ CA7 P43166 1/20 0.43
▸ CA9 Q16790 1/20 0.43
▸ ITGB3 P05106 1/20 0.43
▸ ITGA2B P08514 1/20 0.43
▸ PTGS2 P35354 1/20 0.43
▸ PPARA Q07869 4/20 0.42
▸ PPARG P37231 3/20 0.42
▸ PPARD Q03181 3/20 0.42
▸ ACACB O00763 4/20 0.41

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
SCHEMBL20215813 1.00 LTA4H (0.47) LTA4HALDH1A1CA12CA1CA2
Hydrochloric Acid SCHEMBL5755082 0.99 LTA4H (0.46) LTA4HALDH1A1CA12CA1CA2
SCHEMBL231156 0.89 CA12 (0.45) LTA4HCA12CA1CA2CA4
SCHEMBL2742844 0.89 CA12 (0.45) LTA4HCA12CA1CA2CA4
SCHEMBL10001633 0.88 CA12 (0.47) CA12CA1CA2CA4CA7
SCHEMBL18025354 0.87 CA12 (0.44) LTA4HCA12CA1CA2CA4
SCHEMBL16441206 0.87 CA12 (0.44) LTA4HCA12CA1CA2CA4
SCHEMBL17166629 0.87 CA12 (0.44) LTA4HCA12CA1CA2CA4
SCHEMBL15674144 0.85 LTA4H (0.43) LTA4HCA12CA1CA2CA4
SCHEMBL15674143 0.85 LTA4H (0.43) LTA4HCA12CA1CA2CA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8148287-B2 Catalyst immobilization on siliceous mesocellular foam via click chemistry AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2012-04-03 — — US disclosed
US-20100105544-A1 CATALYST IMMOBILIZATION ON SILICEOUS MESOCELLULAR FOAM VIA CLICK CHEMISTRY AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2010-04-29 — — US disclosed
US-20100105544-A1 CATALYST IMMOBILIZATION ON SILICEOUS MESOCELLULAR FOAM VIA CLICK CHEMISTRY AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2010-04-29 — — US disclosed
WO-2008115154-A1 CATALYST IMMOBILIZATION ON SILICEOUS MESOCELLULAR FOAM VIA CLICK CHEMISTRY AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2008-09-25 — — WO disclosed
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