SCHEMBL21471571

SCHEMBL21471571

O=c1ccccc(C2CCCC2)c1O

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DBH P09172 3/20 0.45
HDAC4 P56524 2/20 0.44
HDAC2 Q92769 2/20 0.44
HDAC8 Q9BY41 2/20 0.44
PTPN5 P54829 4/20 0.43
PTGDR2 Q9Y5Y4 1/20 0.42
PTPN2 P17706 1/20 0.42
HDAC6 Q9UBN7 1/20 0.39
PTGS2 P35354 1/20 0.38
CEL P19835 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
PTPN1 P18031 1/20 0.37
MMP2 P08253 1/20 0.37
HSP90AA1 P07900 1/20 0.37
KDM4E B2RXH2 1/20 0.37
MAPT P10636 1/20 0.37

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
SCHEMBL21471570 0.98 PTGDR2 (0.45) DBHHDAC4HDAC2HDAC8PTPN5
SCHEMBL23433018 0.86 HDAC4 (0.56) DBHHDAC4HDAC2HDAC8PTPN5
SCHEMBL23250689 0.83 DBH (0.41) DBHHDAC4HDAC2HDAC8HDAC6
SCHEMBL23433216 0.82 PTPN5 (0.38) DBHHDAC4HDAC2HDAC8PTPN5
SCHEMBL4960831 0.81 PTPN5 (0.44) HDAC4HDAC2HDAC8PTPN5PTGDR2
SCHEMBL4958862 0.79 PTPN5 (0.46) HDAC4HDAC2HDAC8PTPN5PTGDR2
SCHEMBL4958978 0.79 PTPN5 (0.46) HDAC4HDAC2HDAC8PTPN5PTGDR2
SCHEMBL201425 0.79 PTPN5 (0.46) HDAC4HDAC2HDAC8PTPN5PTGDR2
SCHEMBL4959318 0.79 PTPN5 (0.46) HDAC4HDAC2HDAC8PTPN5PTGDR2
SCHEMBL4960398 0.79 PTPN5 (0.46) HDAC4HDAC2HDAC8PTPN5PTGDR2

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
WO-2024073131-A2 METHOD OF TREATING NEURODEGENERATIVE DISEASES THE BOARD OF TRUSTEES OF THE UNIVESITY OF ILLINOIS (US) 2024-04-04 WO disclosed
WO-2019200314-A2 HINOKITIOL ANALOGUES, METHODS OF PREPARING AND PHARMACEUTICAL COMPOSITIONS THEREOF THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2019-10-17 WO disclosed