SCHEMBL27366880

SCHEMBL27366880

CCOC(=O)C1CCc2cc([S+]([O-])N(C)C)ccc2C1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.37
ALDH1A1 P00352 4/20 0.37
KMT2A Q03164 3/20 0.37
DRD2 P14416 1/20 0.37
DRD3 P35462 1/20 0.37
PDK1 Q15118 1/20 0.36
LGMN Q99538 1/20 0.35
CYP4F2 P78329 1/20 0.35
CYP4A11 Q02928 1/20 0.35
HTT P42858 1/20 0.35
POLB P06746 1/20 0.35
MAPT P10636 2/20 0.34
MEN1 O00255 1/20 0.34
GAA P10253 1/20 0.34
HPGD P15428 1/20 0.34
HSD17B10 Q99714 1/20 0.34
LIMK1 P53667 1/20 0.34

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
SCHEMBL629772 0.78 OPRK1 (0.48) KDM4EALDH1A1KMT2ADRD2DRD3
SCHEMBL27367050 0.78 DRD2 (0.43) KDM4EALDH1A1KMT2ADRD2DRD3
SCHEMBL10529754 0.77 MAPK1 (0.46) KDM4EALDH1A1KMT2APDK1MAPT
SCHEMBL30437653 0.77 MAPK1 (0.46) KDM4EALDH1A1KMT2APDK1MAPT
SCHEMBL21383104 0.77 SHMT2 (0.46) KDM4EALDH1A1KMT2ADRD2DRD3
SCHEMBL27366954 0.76 KMT2A (0.43) ALDH1A1KMT2AHTTPOLBMEN1
Hydrochloric Acid SCHEMBL10528366 0.76 SHMT2 (0.45) KDM4EALDH1A1KMT2ADRD2DRD3
SCHEMBL10528687 0.76 CYP4F2 (0.59) KDM4EALDH1A1KMT2ADRD2DRD3
SCHEMBL7289390 0.76 DRD2 (0.51) KDM4EALDH1A1KMT2ADRD2DRD3
SCHEMBL630214 0.76 DRD2 (0.51) KDM4EALDH1A1KMT2ADRD2DRD3

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-2024049929-A2 PANNEXIN-1 MODULATORS AND METHODS OF TREATING DISORDERS IN WHICH PANNEXIN-1 IS IMPLICATED PANNEX THERAPEUTICS INC. (US) 2024-03-07 WO disclosed