SCHEMBL8891089

SCHEMBL8891089

COc1ccc(-c2noc(COc3cc(C=O)ccc3OC)n2)cc1

nearest known ligand 0.68

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 16/20 0.68
TP53 P04637 3/20 0.59
TSHR P16473 6/20 0.57
NPY1R P25929 1/20 0.55
NPY2R P49146 1/20 0.55
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
ALDH1A1 P00352 1/20 0.54
MAPK1 P28482 2/20 0.54
THRB P10828 1/20 0.53
LMNA P02545 2/20 0.53
L3MBTL1 Q9Y468 2/20 0.53
HTT P42858 2/20 0.53
GSTP1 P09211 1/20 0.52
KDM4E B2RXH2 1/20 0.51
SMN1; SMN2 Q16637 2/20 0.51

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
SCHEMBL8898815 0.90 TSHR (0.59) MAPTTP53TSHRMEN1KMT2A
SCHEMBL8890753 0.83 MAPT (0.68) MAPTTP53TSHRNPY1RNPY2R
SCHEMBL8899801 0.81 POLB (0.61) MAPTTP53TSHRMEN1KMT2A
SCHEMBL8901242 0.80 LMNA (0.60) MAPTTSHRMEN1KMT2AALDH1A1
SCHEMBL11887851 0.76 MAPT (0.78) MAPTTP53TSHRNPY1RNPY2R
SCHEMBL3397230 0.76 PDCD1 (0.67) MAPTTSHRMEN1KMT2AALDH1A1
SCHEMBL14597978 0.74 RAB9A (0.78) MAPTTSHRNPY1RNPY2RMEN1
SCHEMBL8889628 0.74 PDE4D (0.61) MAPTTP53TSHRNPY1RNPY2R
SCHEMBL8892213 0.73 MAPT (0.58) MAPTTP53TSHRMEN1KMT2A
SCHEMBL8899857 0.73 MAPT (0.58) MAPTTP53TSHRMEN1KMT2A

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-1997003967-A1 SUBSTITUTED AROMATIC COMPOUNDS AND THEIR PHARMACEUTICAL USE RHONE-POULENC RORER LIMITED (GB) 1997-02-06 WO disclosed