SCHEMBL20588784

SCHEMBL20588784

CCCNCC1COC2(CCC(C(C)(C)C)CC2)O1

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ADRA1D P25100 4/20 0.41
HTR1A P08908 3/20 0.41
ADRA1B P35368 3/20 0.41
ADRA1A P35348 2/20 0.40
POLB P06746 1/20 0.33
ESR2 Q92731 1/20 0.33
PABPC1 P11940 1/20 0.31
CTDSP1 Q9GZU7 1/20 0.31

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
SCHEMBL9678068 0.90 PABPC1 (0.32) ADRA1DHTR1AADRA1BADRA1APABPC1
SCHEMBL9539639 0.85 ADRA1B (0.47) ADRA1DHTR1AADRA1BADRA1A
SCHEMBL9831774 0.82 PABPC1 (0.34) ADRA1DHTR1AADRA1BADRA1APABPC1
SCHEMBL8527748 0.82 PABPC1 (0.37) PABPC1CTDSP1
SCHEMBL6532258 0.81 HTR1A (0.58) ADRA1DHTR1AADRA1BADRA1APOLB
SCHEMBL9743283 0.80 KDM4E (0.36) ADRA1DHTR1AADRA1BADRA1APABPC1
SCHEMBL11170793 0.78 ALDH1A1 (0.33) PABPC1CTDSP1
SCHEMBL8800493 0.77 PABPC1 (0.36) ADRA1DHTR1AADRA1BADRA1APABPC1
SCHEMBL8798930 0.76 PABPC1 (0.36) PABPC1CTDSP1
SCHEMBL8878463 0.76 PABPC1 (0.36) PABPC1CTDSP1

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-3638032-A1 FUNGICIDAL COMPOSITIONS Syngenta Participations AG (CH) 2020-04-22 EP disclosed
WO-2018228896-A1 FUNGICIDAL COMPOSITIONS SYNGENTA PARTICIPATIONS AG (CH) 2018-12-20 WO disclosed