SCHEMBL5310944

SCHEMBL5310944

COc1ccc(C=CC(=O)Nc2ccc(C)c(C)c2)cc1OC

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.72
TP53 P04637 1/20 0.72
KMT2A Q03164 7/20 0.70
MEN1 O00255 6/20 0.70
SMN1; SMN2 Q16637 3/20 0.70
RAB9A P51151 2/20 0.70
NPC1 O15118 1/20 0.70
STAT1 P42224 1/20 0.70
KDM4E B2RXH2 3/20 0.70
ALDH1A1 P00352 3/20 0.67
LMNA P02545 1/20 0.67
CA12 O43570 3/20 0.66
CA9 Q16790 3/20 0.66
POLB P06746 2/20 0.66
CA1 P00915 1/20 0.65
CA2 P00918 1/20 0.65
GAA P10253 1/20 0.65
TRPV1 Q8NER1 1/20 0.65
HPGD P15428 2/20 0.62
CYP1A2 P05177 1/20 0.62

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
SCHEMBL5310937 1.00 MAPT (0.72) MAPTTP53KMT2AMEN1SMN1; SMN2
SCHEMBL17693070 0.91 MAPT (0.81) MAPTTP53KMT2AMEN1SMN1; SMN2
SCHEMBL30568701 0.90 KDM1A (0.76) MAPTTP53KMT2AMEN1KDM4E
SCHEMBL3242114 0.87 MEN1 (0.78) MAPTTP53KMT2AMEN1SMN1; SMN2
SCHEMBL30568744 0.85 KDM1A (0.79) MAPTTP53KMT2AMEN1SMN1; SMN2
SCHEMBL9607194 0.84 MEN1 (0.78) MAPTTP53KMT2AMEN1SMN1; SMN2
SCHEMBL2839312 0.83 MEN1 (1.00) MAPTTP53KMT2AMEN1SMN1; SMN2
SCHEMBL2849002 0.83 MEN1 (1.00) MAPTTP53KMT2AMEN1SMN1; SMN2
SCHEMBL2842894 0.82 KDM4E (0.81) MAPTTP53KMT2AMEN1SMN1; SMN2
SCHEMBL2842891 0.82 KDM4E (0.81) MAPTTP53KMT2AMEN1SMN1; SMN2

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-20070148185-A1 Novel therapeutic target for protozoal diseases VIRGINIA POLYTECHNIC INSTITUTE AND STATE UNIVERSITY 2007-06-28 US claimed
WO-2007047579-A2 A NOVEL THERAPEUTIC TARGET FOR PROTOZOAL DISEASES VIRGINIA TECH INTELLECTUAL PROPERTIES, INC. (US) 2007-04-26 WO claimed