SCHEMBL9416670

SCHEMBL9416670

COc1cc(C(=O)N2CCc3cc(OC)c(O)cc3C2)ccc1O

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.77
PDE4B Q07343 6/20 0.74
LMNA P02545 2/20 0.66
MAPT P10636 1/20 0.66
PDE4D Q08499 5/20 0.65
CA1 P00915 1/20 0.64
CA2 P00918 1/20 0.64
CA7 P43166 1/20 0.64
CA9 Q16790 1/20 0.64
CA14 Q9ULX7 1/20 0.64
KMT2A Q03164 3/20 0.64
MEN1 O00255 2/20 0.64
PKM P14618 1/20 0.58
KDM4E B2RXH2 2/20 0.58
GLA P06280 1/20 0.58
HTT P42858 1/20 0.58
RAB9A P51151 1/20 0.58
NPSR1 Q6W5P4 1/20 0.58
ALDH1A1 P00352 2/20 0.56
HSD17B10 Q99714 2/20 0.55

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
SCHEMBL3048411 0.94 MAPK1 (0.88) MAPK1PDE4BLMNAMAPTPDE4D
SCHEMBL3052857 0.89 PDE4B (0.69) MAPK1PDE4BLMNAMAPTPDE4D
SCHEMBL3054722 0.88 MAPK1 (0.65) MAPK1PDE4BLMNAMAPTPDE4D
SCHEMBL3056626 0.86 PDE4B (0.71) MAPK1PDE4BLMNAMAPTPDE4D
SCHEMBL3057847 0.85 MAPK1 (0.62) MAPK1PDE4BLMNAMAPTPDE4D
SCHEMBL18620486 0.82 PDE4B (0.59) MAPK1PDE4BLMNAMAPTPDE4D
SCHEMBL3052611 0.81 KDM4E (0.70) MAPK1PDE4BLMNAMAPTCA1
SCHEMBL3504393 0.81 MAPK1 (0.56) MAPK1PDE4BMAPTCA1CA2
SCHEMBL9669207 0.81 MAPK1 (0.56) MAPK1PDE4BMAPTCA1CA2
SCHEMBL8793697 0.81 MAPK1 (0.56) MAPK1CA1CA2CA7CA9

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
EP-0613879-A1 PHELLODENDRINE ANALOGS AND ALLERGY TYPE IV SUPPRESSOR CONTAINING THE SAME AS ACTIVE INGREDIENT TSUMURA & CO. (JP) 1994-09-07 EP disclosed