SCHEMBL3842585

SCHEMBL3842585

C=C(C)C(=O)OC(C)(C)C.Oc1ccc(C=CC=Cc2ccc(OC3CCCCO3)cc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 3/20 0.39
STAT3 P40763 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
MIF P14174 1/20 0.32
HSD11B1 P28845 1/20 0.32
APP P05067 1/20 0.31
MGLL Q99685 1/20 0.31
ALDH1A1 P00352 2/20 0.30
MAPT P10636 2/20 0.30
BACE1 P56817 1/20 0.30
GAA P10253 1/20 0.30
PDE4B Q07343 1/20 0.30
KDM4E B2RXH2 1/20 0.30
MAPK1 P28482 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
P4HB P07237 1/20 0.30
CALM1 P0DP23 1/20 0.30
RAB9A P51151 1/20 0.30

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
SCHEMBL3329236 0.84 APP (0.43) PTPN1STAT3MEN1KMT2AHSD11B1
SCHEMBL3844528 0.83 PTPN1 (0.36) PTPN1STAT3
SCHEMBL5435015 0.80 PTPN1 (0.37) PTPN1STAT3MIFAPPMGLL
SCHEMBL5434997 0.80 MGLL (0.39) PTPN1STAT3APPMGLLRAB9A
SCHEMBL3325658 0.79 STAT3 (0.44) STAT3MEN1KMT2AMIFHSD11B1
SCHEMBL3330863 0.77 STAT3 (0.36) STAT3MEN1KMT2AMIFAPP
SCHEMBL3841532 0.77 STAT3 (0.34) STAT3MIF
SCHEMBL7136566 0.77 STAT3 (0.43) STAT3MEN1KMT2AMIFAPP
SCHEMBL3838392 0.77 ELANE (0.46) STAT3MEN1KMT2AMIFAPP
SCHEMBL1506495 0.76 APP (0.42) STAT3MEN1KMT2AMIFAPP

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-1449833-B1 BISIMIDE COMPOUND, ACID GENERATOR AND RESIST COMPOSITION EACH CONTAINING THE SAME, AND METHOD OF FORMING PATTERN FROM THE COMPOSITION WAKO PURE CHEM IND LTD (JP) 2009-09-09 EP disclosed
EP-1449833-A1 BISIMIDE COMPOUND, ACID GENERATOR AND RESIST COMPOSITION EACH CONTAINING THE SAME, AND METHOD OF FORMING PATTERN FROM THE COMPOSITION Wako Pure Chemical Industries, Ltd. (JP) 2004-08-25 EP disclosed