SCHEMBL24201147

SCHEMBL24201147

O=C(CCCO)NCCOC12CC3CC4CC(C1)C2(C4)C3

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 14/20 0.36
HTT P42858 2/20 0.36
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
ALDH1A1 P00352 2/20 0.33
NPSR1 Q6W5P4 2/20 0.33
HDAC3 O15379 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC7 Q8WUI4 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC10 Q969S8 1/20 0.33
HDAC11 Q96DB2 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
HDAC5 Q9UQL6 1/20 0.33

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
SCHEMBL24201254 0.93 EPHX2 (0.37) EPHX2HTT
SCHEMBL24201080 0.93 EPHX2 (0.37) EPHX2HTT
SCHEMBL22186528 0.79 ALDH1A1 (0.50) EPHX2HTTMEN1KMT2AALDH1A1
SCHEMBL24201267 0.77 ALOX5AP (0.31)
SCHEMBL22186531 0.73 ALDH1A1 (0.43) EPHX2HTTMEN1KMT2AALDH1A1
SCHEMBL22186527 0.73 ALDH1A1 (0.43) EPHX2HTTMEN1KMT2AALDH1A1
SCHEMBL22186530 0.73 ALDH1A1 (0.43) EPHX2HTTMEN1KMT2AALDH1A1
SCHEMBL24201079 0.72 MEN1 (0.33) MEN1KMT2A
SCHEMBL24201097 0.72 MEN1 (0.33) MEN1KMT2A
SCHEMBL24201347 0.72 MEN1 (0.33) MEN1KMT2A

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-3618833-B1 TRIPARTITE ANDROGEN RECEPTOR ELIMINATORS, METHODS AND USES THEREOF SPG THERAPEUTICS INC (US) 2022-01-19 EP disclosed