SCHEMBL7411615

SCHEMBL7411615

COc1cc(OC(C)=O)c(C(=O)c2ccc3ccccc3c2)cc1OC

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.51
MAPK1 P28482 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
NPC1 O15118 3/20 0.50
RAB9A P51151 2/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
HTT P42858 2/20 0.49
NPSR1 Q6W5P4 1/20 0.49
TSHR P16473 2/20 0.48
AKR1C3 P42330 1/20 0.46
NQO2 P16083 1/20 0.46
CASP3 P42574 1/20 0.46
SENP7 Q9BQF6 1/20 0.46
ALDH1A1 P00352 3/20 0.46
GAA P10253 1/20 0.46
TNFSF11 O14788 1/20 0.45
POLB P06746 1/20 0.44
ABCB1 P08183 1/20 0.44
ABCG2 Q9UNQ0 1/20 0.44

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
SCHEMBL7409529 0.90 MAPT (0.57) MAPTMAPK1SMN1; SMN2NPC1MEN1
SCHEMBL6611954 0.86 MAPT (0.63) MAPTMAPK1SMN1; SMN2RAB9AKMT2A
SCHEMBL7411516 0.83 TSHR (0.54) MAPTMAPK1SMN1; SMN2MEN1KMT2A
SCHEMBL7409955 0.83 TSHR (0.42) MAPTMAPK1SMN1; SMN2MEN1KMT2A
SCHEMBL6617275 0.80 TSHR (0.53) MAPTMAPK1SMN1; SMN2NPC1RAB9A
SCHEMBL7410935 0.80 POLB (0.62) MAPTMAPK1NPC1RAB9AKMT2A
SCHEMBL6615739 0.80 KMT2A (0.54) MAPTMAPK1NPC1RAB9AMEN1
SCHEMBL18288035 0.80 STS (0.57) MAPTSMN1; SMN2NPC1RAB9AMEN1
SCHEMBL6612456 0.78 TNFSF11 (0.49) SMN1; SMN2HTTALDH1A1TNFSF11POLB
SCHEMBL7410864 0.78 RAB9A (0.49) MAPTMAPK1NPC1RAB9AMEN1

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
WO-2002088096-A1 COMPOUNDS INHIBITING CYCLIC NUCLEOTIDE PHOSPHODIESTERASES, PREPARATION AND USES THEREOF NEURO3D (FR) 2002-11-07 WO disclosed