SCHEMBL24920945

SCHEMBL24920945

CNCCCOCCCCCCCCOC

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.39
GAA P10253 1/20 0.39
EPHX1 P07099 1/20 0.39
HTR1B P28222 1/20 0.38
TSHR P16473 1/20 0.38
EPHX2 P34913 3/20 0.33
L3MBTL4 Q8NA19 1/20 0.33
L3MBTL3 Q96JM7 1/20 0.33
LMNA P02545 1/20 0.33
RECQL P46063 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MEN1 O00255 1/20 0.32
THRB P10828 1/20 0.32
HTT P42858 1/20 0.32
KMT2A Q03164 1/20 0.32
MAPT P10636 1/20 0.32
SLC6A4 P31645 1/20 0.32
HRH1 P35367 1/20 0.32

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
SCHEMBL24922741 0.98 ALDH1A1 (0.38) ALDH1A1GAAEPHX1HTR1BTSHR
SCHEMBL24920408 0.95 EPHX1 (0.44) ALDH1A1GAAEPHX1HTR1BTSHR
SCHEMBL24921956 0.93 EPHX1 (0.42) ALDH1A1GAAEPHX1HTR1BTSHR
SCHEMBL24921934 0.93 EPHX1 (0.42) ALDH1A1GAAEPHX1HTR1BTSHR
SCHEMBL24921948 0.93 EPHX1 (0.42) ALDH1A1GAAEPHX1HTR1BTSHR
SCHEMBL24921938 0.93 EPHX1 (0.42) ALDH1A1GAAEPHX1HTR1BTSHR
SCHEMBL24921955 0.93 EPHX1 (0.42) ALDH1A1GAAEPHX1HTR1BTSHR
SCHEMBL24921947 0.93 EPHX1 (0.42) ALDH1A1GAAEPHX1HTR1BTSHR
SCHEMBL24921935 0.93 EPHX1 (0.42) ALDH1A1GAAEPHX1HTR1BTSHR
SCHEMBL24921840 0.93 ALDH1A1 (0.40) ALDH1A1GAAEPHX1HTR1BTSHR

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-2023006097-A1 BIFUNCTIONAL CHIMERIC HETEROCYCLIC COMPOUND AND USE THEREOF AS ANDROGEN RECEPTOR DEGRADER 海创药业股份有限公司 2023-02-02 WO disclosed