SCHEMBL7989557

SCHEMBL7989557

COc1cccc(-c2ccccc2)c1Oc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.47
ALDH1A1 P00352 3/20 0.47
MAPK1 P28482 2/20 0.47
HTT P42858 2/20 0.47
NCOA1 Q15788 1/20 0.46
NCOA3 Q9Y6Q9 1/20 0.46
PTGS2 P35354 1/20 0.44
LTA4H P09960 1/20 0.44
KDM4E B2RXH2 4/20 0.43
SMN1; SMN2 Q16637 4/20 0.43
LMNA P02545 3/20 0.43
FYN P06241 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
GAA P10253 2/20 0.42
BRD4 O60885 2/20 0.42
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA4 P22748 1/20 0.41
CA7 P43166 1/20 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
SCHEMBL2203394 0.87 NCOA1 (0.55) L3MBTL1ALDH1A1MAPK1NCOA1NCOA3
SCHEMBL29788121 0.85 NFE2L2 (0.49) L3MBTL1ALDH1A1HTTKDM4ESMN1; SMN2
SCHEMBL357250 0.85 NFE2L2 (0.49) L3MBTL1ALDH1A1HTTKDM4ESMN1; SMN2
SCHEMBL11208196 0.85 MAPK1 (0.58) L3MBTL1ALDH1A1MAPK1HTTLTA4H
Iodide SCHEMBL29162112 0.83 NFE2L2 (0.47) L3MBTL1ALDH1A1HTTKDM4ESMN1; SMN2
SCHEMBL9780765 0.82 LTA4H (0.50) L3MBTL1ALDH1A1MAPK1NCOA1NCOA3
SCHEMBL8124287 0.81 STIM1 (0.47) ALDH1A1KDM4ESMN1; SMN2LMNAGAA
Methyl Alcohol SCHEMBL28815313 0.81 FFAR4 (0.48) ALDH1A1HTTKDM4ESMN1; SMN2LMNA
SCHEMBL10595717 0.81 STIM1 (0.47) ALDH1A1KDM4ESMN1; SMN2LMNAGAA
SCHEMBL11833814 0.80 NCOA1 (0.51) L3MBTL1ALDH1A1MAPK1HTTNCOA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0946495-A4 PHENYL ACETAMIDES AS SPLA2 INHIBITORS LILLY CO ELI (US) 2000-04-12 EP disclosed
EP-0946495-A1 PHENYL ACETAMIDES AS SPLA2 INHIBITORS ELI LILLY AND COMPANY (US) 1999-10-06 EP disclosed
WO-1998024756-A1 PHENYL ACETAMIDES AS SPLA2 INHIBITORS ELI LILLY AND COMPANY (US) 1998-06-11 WO disclosed