SCHEMBL8897429

SCHEMBL8897429

CC(=O)Oc1cc(I)cc(OC(=O)c2ccccc2)c1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.56
TDP1 Q9NUW8 3/20 0.56
ELANE P08246 1/20 0.54
KMT2A Q03164 5/20 0.51
MEN1 O00255 2/20 0.51
MAPK1 P28482 1/20 0.49
ALDH1A1 P00352 2/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
BACE1 P56817 1/20 0.49
PKM P14618 1/20 0.49
PARP10 Q53GL7 1/20 0.47
LMNA P02545 2/20 0.47
F2 P00734 1/20 0.47
GAA P10253 2/20 0.45
TSHR P16473 1/20 0.44
HSP90AA1 P07900 1/20 0.44
NSD2 O96028 1/20 0.44

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
SCHEMBL8435530 0.86 MAPT (0.68) MAPTTDP1ELANEKMT2AMEN1
SCHEMBL16705193 0.84 ELANE (0.75) MAPTTDP1ELANEKMT2AMEN1
SCHEMBL2755026 0.84 KMT2A (0.68) MAPTTDP1KMT2AMEN1ALDH1A1
SCHEMBL7586397 0.84 LMNA (0.50) MAPTELANEKMT2AMEN1MAPK1
SCHEMBL10959120 0.83 MAPT (0.63) MAPTTDP1ELANEKMT2AMEN1
SCHEMBL16429669 0.82 ELANE (0.79) MAPTTDP1ELANEKMT2AMEN1
Acetic Acid Phenyl Ester SCHEMBL5189342 0.82 MAPT (0.67) MAPTTDP1ELANEKMT2AMEN1
SCHEMBL9356185 0.81 ELANE (0.56) MAPTTDP1ELANEKMT2AMEN1
SCHEMBL28703613 0.79 KMT2A (0.54) MAPTTDP1KMT2AMEN1ALDH1A1
SCHEMBL16429666 0.79 ELANE (0.72) MAPTTDP1ELANEKMT2AMEN1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0712493-A4 A METHOD FOR PREPARING AND SELECTING PHARMACEUTICALLY USEFUL NON-PEPTIDE COMPOUNDS FROM A STRUCTURALLY DIVERSE UNIVERSAL LIBRARY SPHINX PHARMA CORP (US) 1997-01-15 EP disclosed
EP-0712493-A1 A METHOD FOR PREPARING AND SELECTING PHARMACEUTICALLY USEFUL NON-PEPTIDE COMPOUNDS FROM A STRUCTURALLY DIVERSE UNIVERSAL LIBRARY SPHINX PHARMACEUTICALS CORPORATION (US) 1996-05-22 EP disclosed
WO-1995004277-A1 A METHOD FOR PREPARING AND SELECTING PHARMACEUTICALLY USEFUL NON-PEPTIDE COMPOUNDS FROM A STRUCTURALLY DIVERSE UNIVERSAL LIBRARY SPHINX PHARMACEUTICALS CORPORATION (US) 1995-02-09 WO disclosed