SCHEMBL11883059

SCHEMBL11883059

CN(CCOC(=O)C(C)(C)Oc1ccc(Cl)cc1)CC(O)Cn1cnc2c1c(=O)n(C)c(=O)n2C

nearest known ligand 0.72

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 6/20 0.52
▸ SMN1; SMN2 Q16637 3/20 0.52
▸ RXFP1 Q9HBX9 6/20 0.51
▸ POLB P06746 2/20 0.47
▸ KDM4E B2RXH2 1/20 0.47
▸ ALDH1A1 P00352 2/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ MAPK1 P28482 2/20 0.45
▸ GAA P10253 1/20 0.43
▸ ADORA2B P29275 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
Xanthinol SCHEMBL29388798 0.88 LMNA (0.61) LMNASMN1; SMN2RXFP1POLBKDM4E
SCHEMBL10963461 0.87 LMNA (0.58) LMNASMN1; SMN2RXFP1POLBKDM4E
Theofibrate SCHEMBL3960649 0.84 ADORA2B (0.60) LMNASMN1; SMN2RXFP1POLBALDH1A1
Theofibrate SCHEMBL49272 0.84 ADORA2B (0.60) LMNASMN1; SMN2RXFP1POLBALDH1A1
Xanthinol SCHEMBL121656 0.75 LMNA (0.73) LMNASMN1; SMN2RXFP1POLBKDM4E
Theofibrate SCHEMBL28085094 0.74 LMNA (0.51) LMNASMN1; SMN2RXFP1ALDH1A1MAPK1
SCHEMBL10963455 0.73 LMNA (0.60) LMNASMN1; SMN2RXFP1POLBKDM4E
SCHEMBL11460190 0.72 OPRK1 (0.55) LMNASMN1; SMN2RXFP1ALDH1A1L3MBTL1
Acefylline Clofibrol SCHEMBL2110473 0.71 MAPK1 (0.61) LMNASMN1; SMN2RXFP1POLBL3MBTL1
SCHEMBL29478461 0.68 LMNA (0.58) LMNASMN1; SMN2RXFP1POLBKDM4E

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
US-3801578-A 7-(2-HYDROXY-3-(N-METHYL-2-HYDROXY-ETHYLAMINO)-PROPYL)-THEOPHYLLINE-2-(4-CHLOROPHENOXY)-ISOBUTYRATE CHINOIN GYOGYSZER ES VEGYESZET 1974-04-02 — — US disclosed
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