SCHEMBL22856548

SCHEMBL22856548

CCCOCCCOCCCNC

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.46
HTR1B P28222 2/20 0.39
TSHR P16473 3/20 0.37
EPHX2 P34913 3/20 0.34
ALDH1A1 P00352 2/20 0.33
MEN1 O00255 1/20 0.33
THRB P10828 1/20 0.33
HTT P42858 1/20 0.33
KMT2A Q03164 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 2/20 0.33
HRH1 P35367 2/20 0.32
SLC6A4 P31645 1/20 0.32
CYP3A4 P08684 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.31
HTR1D P28221 1/20 0.31
HSD17B10 Q99714 1/20 0.31

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
SCHEMBL23267783 0.98 EPHX1 (0.44) EPHX1HTR1BTSHREPHX2ALDH1A1
SCHEMBL9947082 0.97
SCHEMBL23267022 0.95 EPHX1 (0.46) EPHX1HTR1BTSHREPHX2ALDH1A1
SCHEMBL23267823 0.95 EPHX1 (0.46) EPHX1HTR1BTSHREPHX2ALDH1A1
SCHEMBL22930461 0.93 EPHX1 (0.50) EPHX1HTR1BTSHREPHX2MEN1
SCHEMBL22703713 0.91 EPHX1 (0.54) EPHX1TSHREPHX2MEN1THRB
SCHEMBL22560669 0.90 EPHX1 (0.40) EPHX1HTR1BTSHREPHX2ALDH1A1
SCHEMBL22856487 0.90 EPHX1 (0.52) EPHX1HTR1BTSHRALDH1A1MEN1
SCHEMBL22343740 0.90 EPHX1 (0.52) EPHX1HTR1BTSHREPHX2MEN1
SCHEMBL22703712 0.88 EPHX1 (0.50) EPHX1HTR1BTSHREPHX2MEN1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023220425-A1 BCL-XL/BCL-2 DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. (US) 2023-11-16 WO disclosed
WO-2021077010-A1 BIFUNCTIONAL MOLECULES CONTAINING AN E3 UBIQUITINE LIGASE BINDING MOIETY LINKED TO A BCL6 TARGETING MOIETY ARVINAS OPERATIONS, INC. (US) 2021-04-22 WO disclosed
WO-2020264490-A1 IRAK DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. (US) 2020-12-30 WO disclosed