SCHEMBL4036165

SCHEMBL4036165

COc1c(C)c(C)cc(C)c1CO

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.41
CA4 P22748 1/20 0.41
IMPDH2 P12268 2/20 0.40
AKR1B1 P15121 1/20 0.39
PGK1 P00558 1/20 0.35
PGK2 P07205 1/20 0.35
MAPT P10636 2/20 0.35
HPGD P15428 1/20 0.35
HSD17B10 Q99714 1/20 0.35
PDE1A P54750 4/20 0.33
PDE1B Q01064 4/20 0.33
PDE3B Q13370 4/20 0.33
PDE1C Q14123 4/20 0.33
PDE3A Q14432 4/20 0.33
PDE4A P27815 4/20 0.33
PDE4B Q07343 4/20 0.33
PDE4C Q08493 4/20 0.33
PDE4D Q08499 4/20 0.33
PDE5A O76074 3/20 0.33
ALDH1A1 P00352 1/20 0.33

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
SCHEMBL28596719 0.78 ACHE (0.45) CA2CA4MAPTPDE1APDE1B
SCHEMBL4456884 0.78 IMPDH2 (0.39) IMPDH2PGK1PGK2MAPTHPGD
SCHEMBL5566891 0.77 ACHE (0.43) CA2CA4IMPDH2MAPTALDH1A1
SCHEMBL8130587 0.75 MEN1 (0.47) CA2CA4AKR1B1MAPTHPGD
SCHEMBL360246 0.75 PGK1 (0.41) IMPDH2PGK1PGK2HPGDHSD17B10
SCHEMBL31759254 0.75 IMPDH2 (0.43) CA2CA4IMPDH2AKR1B1MAPT
SCHEMBL30805792 0.75 CA2 (0.46) CA2CA4IMPDH2AKR1B1MAPT
SCHEMBL27303464 0.75 IMPDH2 (0.43) CA2CA4IMPDH2AKR1B1MAPT
SCHEMBL27303422 0.75 CA2 (0.46) CA2CA4IMPDH2AKR1B1MAPT
SCHEMBL7708095 0.74 PGK1 (0.50) PGK1PGK2HPGDHSD17B10ALDH1A1

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-1323716-B1 PROMOTERS FOR THE PROLIFERATION AND DIFFERENTIATION OF STEM CELLS AND/OR NEURON PRECURSOR CELLS TAKEDA PHARMACEUTICAL (JP) 2009-01-14 EP disclosed
EP-1136477-A1 BENZOFURAN DERIVATIVES, PROCESS FOR THE PREPARATION OF THE SAME AND USES THEREOF Takeda Chemical Industries, Ltd. (JP) 2001-09-26 EP disclosed