SCHEMBL7634835

SCHEMBL7634835

C#CCOc1ccc(C(=O)C=Cc2c(OC)cc(OC)cc2OC)c(O)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.58
MEN1 O00255 3/20 0.58
MAPK1 P28482 3/20 0.58
KMT2A Q03164 3/20 0.58
NPC1 O15118 2/20 0.58
RAB9A P51151 2/20 0.58
CHRNA7 P36544 1/20 0.56
ABCG2 Q9UNQ0 8/20 0.54
APP P05067 4/20 0.54
FLT3 P36888 1/20 0.53
LMNA P02545 3/20 0.52
CYP3A4 P08684 2/20 0.52
CYP2C19 P33261 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
AURKA O14965 1/20 0.51
CTSL P07711 1/20 0.50
RECQL P46063 1/20 0.50
ATM Q13315 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
ALDH1A1 P00352 1/20 0.50

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
SCHEMBL4449840 0.86 MAPT (0.76) MAPTMEN1MAPK1KMT2ANPC1
SCHEMBL4449836 0.86 MAPT (0.76) MAPTMEN1MAPK1KMT2ANPC1
SCHEMBL25191799 0.82 ABCG2 (0.77) MAPTMEN1MAPK1KMT2ANPC1
SCHEMBL25195734 0.79 CYP3A4 (0.62) MAPTMEN1MAPK1KMT2ACHRNA7
SCHEMBL30383778 0.78 MAOB (0.66) MAPTMEN1MAPK1KMT2ANPC1
SCHEMBL25210434 0.78 MAOB (0.66) MAPTMEN1MAPK1KMT2ANPC1
SCHEMBL7637445 0.78 MAOB (0.66) MAPTMEN1MAPK1KMT2ANPC1
SCHEMBL4456570 0.77 ABCG2 (0.76) MAPTMEN1MAPK1KMT2ANPC1
SCHEMBL4456573 0.77 ABCG2 (0.76) MAPTMEN1MAPK1KMT2ANPC1
SCHEMBL25191038 0.75 GUSB (0.55) MAPTMEN1MAPK1KMT2AABCG2

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-6423740-B1 ANTICARCINOGENIC AGENTS INDENA S.P.A. (IT) 2002-07-23 US claimed
US-6423740-B1 ANTICARCINOGENIC AGENTS INDENA S.P.A. (IT) 2002-07-23 US disclosed