SCHEMBL9211658

SCHEMBL9211658

COc1ccc(C(=O)c2ccccc2)c(OC(=O)O)c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.68
MAPK1 P28482 3/20 0.68
LMNA P02545 6/20 0.66
ALDH1A1 P00352 6/20 0.66
HTT P42858 4/20 0.66
HPGD P15428 3/20 0.66
CYP1A2 P05177 2/20 0.66
CYP2C19 P33261 2/20 0.66
PGR P06401 1/20 0.66
CYP2D6 P10635 1/20 0.66
SLC6A2 P23975 1/20 0.66
PDE4A P27815 1/20 0.66
HRH1 P35367 1/20 0.66
SLC6A3 Q01959 1/20 0.66
PDE4D Q08499 1/20 0.66
NPC1 O15118 3/20 0.65
POLB P06746 2/20 0.64
ELANE P08246 2/20 0.62
KDM4E B2RXH2 5/20 0.58
KMT2A Q03164 2/20 0.56

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
SCHEMBL28968013 0.98 MAPT (0.67) MAPTMAPK1LMNAALDH1A1HTT
SCHEMBL9209028 0.92 NPC1 (0.77) MAPTMAPK1LMNAALDH1A1HTT
SCHEMBL27812148 0.90 MAPT (0.67) MAPTMAPK1LMNAALDH1A1HTT
SCHEMBL30205105 0.89 NPC1 (0.81) MAPTMAPK1LMNAALDH1A1HTT
SCHEMBL3224251 0.89 NPC1 (0.81) MAPTMAPK1LMNAALDH1A1HTT
SCHEMBL25304845 0.88 MAPT (0.65) MAPTMAPK1LMNAALDH1A1HTT
SCHEMBL4622496 0.86 MAPT (0.66) MAPTMAPK1LMNAALDH1A1HTT
SCHEMBL8387178 0.85 MAPT (0.60) MAPTMAPK1LMNAALDH1A1HTT
SCHEMBL32672129 0.85 MAPT (0.60) MAPTMAPK1LMNAALDH1A1HTT
SCHEMBL7468048 0.84 POLB (0.66) MAPTMAPK1LMNAALDH1A1HTT

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
EP-0437185-B1 Pyrroline-resp. indoline containing phthalides CIBA GEIGY AG (CH) 1995-10-18 EP disclosed
EP-0437185-A2 Pyrroline-resp. indoline containing phthalides CIBA-GEIGY AG (CH) 1991-07-17 EP disclosed