SCHEMBL7718115

SCHEMBL7718115

[CH2]C(NCCC)NCCC

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.33
ADH1B P00325 1/20 0.30
ADH1A P07327 1/20 0.30
ADH7 P40394 1/20 0.30
CA1 P00915 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
SCHEMBL215173 0.78
SCHEMBL28099337 0.75
SCHEMBL2528044 0.75
SCHEMBL8995227 0.75
SCHEMBL7578261 0.73
SCHEMBL1029275 0.72
SCHEMBL19846890 0.69 SIGMAR1 (0.39) SIGMAR1ADH1BADH1AADH7CA1
SCHEMBL58831 0.69
SCHEMBL13624572 0.69 SIGMAR1 (0.39) SIGMAR1ADH1BADH1AADH7CA1
SCHEMBL8596685 0.67

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-6376548-B1 FUNGICIDES; HERBICIDES; INSECTICIDES ROHM AND HAAS COMPANY 2002-04-23 US disclosed