SCHEMBL14060872

SCHEMBL14060872

Cc1ccc(OCC(=O)O)c(C)c1OCC(=O)O

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 2/20 0.47
▸ POLB P06746 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ GLA P06280 1/20 0.47
▸ FHIT P49789 1/20 0.47
▸ PTGDR2 Q9Y5Y4 4/20 0.46
▸ TDP1 Q9NUW8 2/20 0.45
▸ KMT2A Q03164 1/20 0.44
▸ TSHR P16473 1/20 0.44
▸ PPARG P37231 1/20 0.43
▸ PPARD Q03181 1/20 0.43
▸ PPARA Q07869 1/20 0.43
▸ CD69 Q07108 2/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ PKM P14618 1/20 0.42
▸ NR4A1 P22736 1/20 0.42
▸ APEX1 P27695 1/20 0.42

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
SCHEMBL7288512 0.89 L3MBTL1 (0.50) L3MBTL1POLBSMN1; SMN2GLAFHIT
SCHEMBL6744370 0.87 SMN1; SMN2 (0.51) L3MBTL1POLBSMN1; SMN2GLAKMT2A
SCHEMBL10728817 0.82 L3MBTL1 (0.47) L3MBTL1POLBSMN1; SMN2GLAFHIT
SCHEMBL7390249 0.82 SCN5A (0.54) L3MBTL1POLBSMN1; SMN2GLAKMT2A
SCHEMBL10733976 0.80 L3MBTL1 (0.49) L3MBTL1POLBSMN1; SMN2GLAFHIT
SCHEMBL16784835 0.79 SMN1; SMN2 (0.53) L3MBTL1POLBSMN1; SMN2PTGDR2TDP1
SCHEMBL10459386 0.79 L3MBTL1 (0.47) L3MBTL1POLBSMN1; SMN2GLAFHIT
SCHEMBL5699380 0.79 PKM (0.54) L3MBTL1POLBSMN1; SMN2GLAFHIT
SCHEMBL321504 0.79 L3MBTL1 (0.56) L3MBTL1POLBSMN1; SMN2GLAPTGDR2
SCHEMBL5379717 0.77 L3MBTL1 (0.63) L3MBTL1POLBSMN1; SMN2GLAPTGDR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012160112-A1 NOVEL IODINE COMPOUNDS, PROCESSES FOR THEIR PREPARATION AND USE THEREOF AS AMINATION AGENTS FUNDACIÓ PRIVADA INSTITUT CATALÀ D'INVESTIGACIÓ QUÍMICA (ICIQ) (ES) 2012-11-29 — — WO disclosed
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