SCHEMBL31587771

SCHEMBL31587771

COC(=O)c1cc(Br)c(OC)cc1O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.50
CA12 O43570 2/20 0.49
CA1 P00915 2/20 0.49
CA2 P00918 2/20 0.49
CA7 P43166 2/20 0.49
CA9 Q16790 2/20 0.49
CA14 Q9ULX7 2/20 0.49
PDK2 Q15119 1/20 0.49
PDK4 Q16654 1/20 0.49
KDM4E B2RXH2 3/20 0.47
GAA P10253 3/20 0.46
HMGCR P04035 1/20 0.46
LCK P06239 1/20 0.44
FYN P06241 1/20 0.44
POLB P06746 2/20 0.44
RECQL P46063 2/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 2/20 0.43
TSHR P16473 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL10692871 1.00 HTT (0.50) HTTCA12CA1CA2CA7
SCHEMBL20802856 0.93 KDM4E (0.51) HTTCA12CA1CA2CA7
SCHEMBL30447954 0.87 KDM4E (0.56) HTTKDM4EGAALCKFYN
SCHEMBL25341632 0.87 KDM4E (0.56) HTTKDM4EGAALCKFYN
SCHEMBL9080835 0.86 GAA (0.50) HTTCA12CA1CA2CA7
SCHEMBL383036 0.85 GAA (0.53) HTTKDM4EGAALCKFYN
SCHEMBL8980590 0.85 HTT (0.68) HTTCA12CA1CA2CA7
SCHEMBL4466238 0.84 HTT (0.72) HTTKDM4EGAAHMGCRLCK
SCHEMBL15074288 0.84 LCK (0.59) HTTCA12CA1CA2CA7
SCHEMBL3461530 0.83 KDM4E (0.57) HTTCA12CA1CA2CA7

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-2025106974-A1 PRODRUG MOIETIES AND COMPOUNDS COMPRISING THE SAME THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2025-05-22 WO disclosed