SCHEMBL10992191

SCHEMBL10992191

COc1cc(C2=CC(=O)N(C)C2=O)cc(OC)c1OC

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.42
KDR P35968 1/20 0.39
MAPT P10636 2/20 0.39
ALDH1A1 P00352 3/20 0.39
KDM4E B2RXH2 2/20 0.39
GLA P06280 1/20 0.39
HSD17B10 Q99714 1/20 0.39
HPGD P15428 2/20 0.39
CA12 O43570 1/20 0.38
CA9 Q16790 1/20 0.38
ACHE P22303 1/20 0.38
PDE3B Q13370 1/20 0.38
PDE3A Q14432 1/20 0.38
LY96 Q9Y6Y9 1/20 0.38
ABCB1 P08183 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ADORA3 P0DMS8 1/20 0.38
ERN1 O75460 1/20 0.37

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
SCHEMBL5437451 0.82 MAPT (0.44) MAPTALDH1A1KDM4EHPGDPDE3B
SCHEMBL13931143 0.76 MAPT (0.40) MAPTALDH1A1KDM4ESMN1; SMN2
SCHEMBL4187132 0.70 GSTP1 (0.53) MAPTALDH1A1KDM4EPDE3BPDE3A
SCHEMBL9466940 0.69 MAPT (0.45) L3MBTL1MAPTALDH1A1KDM4EGLA
SCHEMBL721861 0.69 ACHE (0.65) L3MBTL1MAPTALDH1A1KDM4EHPGD
SCHEMBL6003729 0.65 SIGMAR1 (0.38) MAPTALDH1A1KDM4EHPGDSMN1; SMN2
SCHEMBL11000171 0.64 AHR (0.43) MAPTALDH1A1KDM4EHPGD
SCHEMBL4603359 0.64 MAPT (0.49) MAPTALDH1A1KDM4ESMN1; SMN2
SCHEMBL28830721 0.64 BACE1 (0.56) MAPTALDH1A1KDM4EHSD17B10HPGD
SCHEMBL7349003 0.63 CYP19A1 (0.48) L3MBTL1MAPTALDH1A1KDM4EGLA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4529736-A Antidepressant AMERICAN CYANAMID COMPANY (US) 1985-07-16 US disclosed
EP-0100426-A1 3a-(substituted-phenyl)-hexaloctahydro-4,7-alkanoisoindoles AMERICAN CYANAMID COMPANY (US) 1984-02-15 EP disclosed