SCHEMBL9702707

SCHEMBL9702707

C1=C(Oc2nc(OC3=CCCCC3)nc(OC3=CCCCC3)n2)CCCC1

nearest known ligand 0.40

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.36
RAB9A P51151 1/20 0.36
TDP1 Q9NUW8 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
SCHEMBL9444418 0.86
SCHEMBL1134992 0.85 KDM1A (0.36)
SCHEMBL27383117 0.83 KDM1A (0.34)
SCHEMBL28030919 0.83 KDM1A (0.34)
SCHEMBL10876868 0.83 KDM1A (0.34)
SCHEMBL10876875 0.83 KDM1A (0.34)
SCHEMBL10876862 0.83 KDM1A (0.34)
SCHEMBL477769 0.77 HDAC3 (0.32)
SCHEMBL13721172 0.76 KDM1A (0.31)
Ethylene SCHEMBL11164027 0.72 HDAC3 (0.30)

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-5079302-A POLYMERIZATION PROCESS AND THE POLYMERS THEREOF UNIVERSITY OF AKRON (US) 1992-01-07 US disclosed