SCHEMBL27367345

SCHEMBL27367345

CCN(CC)S(=O)(=O)c1ccc2c(c1)CCC(C(O)CC(=O)OCC(C)C)C2

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDK1 Q15118 1/20 0.38
PDK2 Q15119 1/20 0.38
PDK3 Q15120 1/20 0.38
PDK4 Q16654 1/20 0.38
POLB P06746 2/20 0.38
KMT2A Q03164 2/20 0.36
TSHR P16473 4/20 0.35
HTT P42858 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
MAPK1 P28482 1/20 0.35
ALDH1A1 P00352 4/20 0.35
LMNA P02545 1/20 0.35
MAOA P21397 1/20 0.35
MAOB P27338 1/20 0.35
PKM P14618 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
KDM4E B2RXH2 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL27367022 0.77 HTR2C (0.45) KMT2ATSHRHTTALDH1A1LMNA
SCHEMBL27367305 0.72 NPC1 (0.53) PDK1PDK2PDK3PDK4POLB
SCHEMBL27367100 0.67 MCHR1 (0.38)
SCHEMBL27367016 0.67 ACHE (0.36)
SCHEMBL27367338 0.66 ACHE (0.32)
SCHEMBL27367322 0.66 CCKBR (0.35) POLBNPSR1ALDH1A1LMNAKDM4E
SCHEMBL27367125 0.64 MCHR1 (0.39) PDK1PDK2PDK3PDK4
SCHEMBL16585721 0.61 PDK1 (0.70) PDK1PDK2PDK3PDK4POLB
SCHEMBL16585782 0.60 PDK1 (0.45) PDK1PDK2PDK3PDK4TSHR
SCHEMBL27367223 0.60 AKR1C3 (0.39) HTTALDH1A1LMNASMN1; SMN2

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