SCHEMBL6853640

SCHEMBL6853640

[CH2]CCCN(C1CCCCC1)C1CCCCC1.[LiH]

nearest known ligand 0.32

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.32
ADH1A P07327 1/20 0.31
THRA P10827 1/20 0.31
THRB P10828 1/20 0.31
MEN1 O00255 2/20 0.30
KMT2A Q03164 2/20 0.30
GAA P10253 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL2101847 0.98 ADH1A (0.32) ALDH1A1ADH1ATHRATHRBMEN1
SCHEMBL738212 0.98 ADH1A (0.32) ALDH1A1ADH1ATHRATHRBMEN1
SCHEMBL736028 0.95 ADH1C (0.30) ADH1A
SCHEMBL734828 0.95 ADH1C (0.30) ADH1A
SCHEMBL737163 0.93
SCHEMBL736699 0.91
SCHEMBL1582164 0.89 SIGMAR1 (0.35) ALDH1A1ADH1ATHRATHRB
SCHEMBL736635 0.85
SCHEMBL737555 0.83 ADH1A (0.34) ALDH1A1ADH1ATHRATHRBMEN1
SCHEMBL737206 0.83 ADH1A (0.34) ALDH1A1ADH1ATHRATHRBMEN1

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
US-6706748-B2 USE AS MICROBICIDES NIHON BAYER AGROCHEM, K.K. (JP) 2004-03-16 US disclosed