SCHEMBL25866045

SCHEMBL25866045

COc1ccc2c(c1)C(=O)N(CCc1ccc([S+]([O-])NC(=O)NC3CCCCC3)cc1)C(=O)C2(C)C

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.75
CYP2C9 P11712 2/20 0.75
HPGD P15428 2/20 0.75
LMNA P02545 2/20 0.75
KDM4E B2RXH2 2/20 0.75
HSD17B10 Q99714 2/20 0.75
ABCC3 O15438 1/20 0.75
ABCC4 O15439 1/20 0.75
NR1I2 O75469 1/20 0.75
ABCB11 O95342 1/20 0.75
NR3C1 P04150 1/20 0.75
RARA P10276 1/20 0.75
RARB P10826 1/20 0.75
RARG P13631 1/20 0.75
TBXA2R P21731 1/20 0.75
HTR2A P28223 1/20 0.75
NR1H2 P55055 1/20 0.75
PDE4D Q08499 1/20 0.75
NR1H3 Q13133 1/20 0.75
PDE3A Q14432 1/20 0.75

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
Gliquidone SCHEMBL29465034 0.86 LMNA (1.00) CYP3A4CYP2C9HPGDLMNAKDM4E
Gliquidone SCHEMBL15669239 0.86 LMNA (1.00) CYP3A4CYP2C9HPGDLMNAKDM4E
Gliquidone SCHEMBL37769 0.86 LMNA (1.00) CYP3A4CYP2C9HPGDLMNAKDM4E
Gliquidone SCHEMBL676846 0.85 LMNA (0.98) CYP3A4CYP2C9HPGDLMNAKDM4E
SCHEMBL11929012 0.81 CYP3A4 (0.76) CYP3A4CYP2C9HPGDLMNAKDM4E
SCHEMBL10281162 0.81 CYP3A4 (0.76) CYP3A4CYP2C9HPGDLMNAKDM4E
SCHEMBL18388618 0.81 CYP3A4 (0.75) CYP3A4CYP2C9HPGDLMNAKDM4E
SCHEMBL20369287 0.79 CYP3A4 (0.72) CYP3A4CYP2C9HPGDLMNAKDM4E
SCHEMBL8216020 0.79 LMNA (0.87) CYP3A4CYP2C9HPGDLMNAKDM4E
Gliquidone SCHEMBL28086518 0.78 LMNA (0.82) CYP3A4CYP2C9HPGDLMNAKDM4E

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-4198059-A1 MODULATION OF CELLULAR STRESS The University of Queensland (AU) 2023-06-21 EP disclosed