SCHEMBL30445280

SCHEMBL30445280

CO/N=C1\C[C@@H]2C[C@@H](C(=O)OC)[C@H]1C2

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 2/20 0.32
TSHR P16473 2/20 0.32
CYP3A4 P08684 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 1/20 0.32
MAPK1 P28482 1/20 0.32
HSD17B10 Q99714 1/20 0.32
CHRM2 P08172 1/20 0.31
CHRM4 P08173 1/20 0.31
CHRM3 P20309 1/20 0.31
CHRNB2 P17787 1/20 0.31
CHRNA4 P43681 1/20 0.31
HTT P42858 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
MAPT P10636 1/20 0.30

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
SCHEMBL2125458 0.78 BRD4 (0.37) SLC6A3TSHRCYP3A4CYP1A2CYP2D6
SCHEMBL30445083 0.78 BRD4 (0.37) SLC6A3TSHRCYP3A4CYP1A2CYP2D6
SCHEMBL30444800 0.78 BRD4 (0.37) SLC6A3TSHRCYP3A4CYP1A2CYP2D6
SCHEMBL25783804 0.69 CHRM2 (0.33) SLC6A3TSHRCYP3A4CYP1A2CYP2D6
SCHEMBL11384348 0.67 SLC6A3 (0.36) SLC6A3CHRM2CHRM4CHRM3
SCHEMBL974400 0.65 CHRM2 (0.48) TSHRCYP3A4CYP1A2CYP2D6MAPK1
SCHEMBL974796 0.65 CHRM2 (0.48) TSHRCYP3A4CYP1A2CYP2D6MAPK1
SCHEMBL8494369 0.65 CHRM2 (0.48) TSHRCYP3A4CYP1A2CYP2D6MAPK1
SCHEMBL31285391 0.65 CHRM2 (0.48) TSHRCYP3A4CYP1A2CYP2D6MAPK1
SCHEMBL974399 0.65 CHRM2 (0.48) TSHRCYP3A4CYP1A2CYP2D6MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4405342-A2 CYCLIC PEROXIDES AS PRODRUGS FOR SELECTIVE DELIVERY OF AGENTS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2024-07-31 EP disclosed
WO-2023049829-A2 CYCLIC PEROXIDES AS PRODRUGS FOR SELECTIVE DELIVERY OF AGENTS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2023-03-30 WO disclosed