SCHEMBL5140179

SCHEMBL5140179

Cc1cc(O)c(C2CCCCC2)cc1-c1[c]cc(-c2cc(C3CCCCC3)c(O)cc2C)c(O)c1O

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.35
NUDT1 P36639 1/20 0.33
BACE1 P56817 1/20 0.33
PSMB5 P28074 1/20 0.32
KDM4E B2RXH2 1/20 0.30
MEN1 O00255 1/20 0.30
MAPT P10636 1/20 0.30
KMT2A Q03164 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
SCHEMBL18948598 0.77 NUDT1 (0.42) HSP90AA1NUDT1BACE1PSMB5KDM4E
SCHEMBL7524739 0.77 HSP90AA1 (0.38) HSP90AA1NUDT1BACE1PSMB5KDM4E
SCHEMBL19733096 0.77 KDM4E (0.42) KDM4EMAPT
Orthocresol SCHEMBL15511894 0.73 NUDT1 (0.39) HSP90AA1NUDT1BACE1KDM4EMEN1
P-Cresol SCHEMBL15512405 0.73 ACHE (0.39) HSP90AA1NUDT1BACE1PSMB5KMT2A
SCHEMBL3787021 0.73 NUDT1 (0.40) HSP90AA1NUDT1BACE1PSMB5KDM4E
SCHEMBL9137211 0.73 NUDT1 (0.34) HSP90AA1NUDT1BACE1PSMB5KDM4E
SCHEMBL3788958 0.73 NUDT1 (0.37) HSP90AA1NUDT1BACE1PSMB5KDM4E
SCHEMBL1245161 0.73 NUDT1 (0.45) HSP90AA1NUDT1BACE1PSMB5KDM4E
SCHEMBL15511757 0.72 TRPA1 (0.47) HSP90AA1NUDT1BACE1PSMB5KMT2A

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-1882982-A1 POSITIVE RESIST COMPOSITION AND METHOD OF FORMING RESIST PATTERN TOKYO OHKA KOGYO CO., LTD. (JP) 2008-01-30 EP disclosed