SCHEMBL9539650

SCHEMBL9539650

CCC(CCOC)NCCC1COC2(CCC(C(C)(C)C)CC2)O1

nearest known ligand 0.30

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.30
ADRA1D P25100 1/20 0.30
ADRA1A P35348 1/20 0.30
ADRA1B P35368 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
SCHEMBL9540548 0.78
SCHEMBL9539639 0.76 ADRA1B (0.47) HTR1AADRA1DADRA1AADRA1B
SCHEMBL8527748 0.72 PABPC1 (0.37)
SCHEMBL11170793 0.72 ALDH1A1 (0.33)
SCHEMBL9543293 0.70
SCHEMBL9742001 0.70 PABPC1 (0.34)
SCHEMBL9742721 0.70 PABPC1 (0.34)
SCHEMBL9678068 0.70 PABPC1 (0.32) HTR1AADRA1DADRA1AADRA1B
SCHEMBL11403296 0.70 ALDH1A1 (0.42)
SCHEMBL9678064 0.69 PABPC1 (0.31)

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-1993002074-A1 ALKOXYAMINO KETALS, THEIR PREPARATION AND INTERMEDIATE PRODUCTS THEREFOR, AND THEIR USE AS FUNGICIDES CHEMINOVA AGRO A/S (DK) 1993-02-04 WO disclosed