SCHEMBL14435720

SCHEMBL14435720

COc1ccccc1C(=O)Nc1ccc(CCC(C)=O)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.64
SMN1; SMN2 Q16637 4/20 0.64
MAPK1 P28482 4/20 0.61
RAB9A P51151 3/20 0.61
TP53 P04637 2/20 0.61
NPC1 O15118 2/20 0.61
ALDH1A1 P00352 3/20 0.60
KMT2A Q03164 2/20 0.60
KCNK3 O14649 2/20 0.58
KCNK9 Q9NPC2 2/20 0.58
KLKB1 P03952 1/20 0.57
LMNA P02545 2/20 0.54
KDM4E B2RXH2 1/20 0.54
AHR P35869 1/20 0.54
GFER P55789 1/20 0.54
NPSR1 Q6W5P4 1/20 0.53
HSD17B10 Q99714 1/20 0.53
RXFP1 Q9HBX9 1/20 0.53
TSHR P16473 1/20 0.53
CTSD P07339 1/20 0.52

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
SCHEMBL4347151 0.90 MAPT (0.64) MAPTSMN1; SMN2MAPK1RAB9ATP53
SCHEMBL19077957 0.89 MAPT (0.62) MAPTSMN1; SMN2MAPK1RAB9ATP53
SCHEMBL14062901 0.86 MAPT (0.67) MAPTSMN1; SMN2MAPK1RAB9ATP53
SCHEMBL7636114 0.85 MAPT (0.61) MAPTSMN1; SMN2MAPK1RAB9ATP53
SCHEMBL4428019 0.83 MAPT (0.71) MAPTSMN1; SMN2MAPK1RAB9ATP53
SCHEMBL28133927 0.83 MAPT (0.70) MAPTSMN1; SMN2MAPK1RAB9ATP53
SCHEMBL19077954 0.82 ALOX15 (0.67) MAPTSMN1; SMN2RAB9ATP53NPC1
SCHEMBL2060705 0.81 NR1H4 (0.73) MAPTSMN1; SMN2MAPK1RAB9ATP53
SCHEMBL31661607 0.81 MAPT (0.60) MAPTSMN1; SMN2MAPK1RAB9ATP53
SCHEMBL13593270 0.81 MAPT (0.60) MAPTSMN1; SMN2MAPK1RAB9ATP53

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-2007093226-A1 ORAL IBANDRONATE FORMULATIONS F. HOFFMANN-LA ROCHE AG (CH) 2007-08-23 WO disclosed