SCHEMBL11527879

SCHEMBL11527879

CCCCN(N)CC(C)C

nearest known ligand 0.44

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 3/20 0.44
PLA2G1B P04054 1/20 0.34
PLA2G2A P14555 1/20 0.34
OPRM1 P35372 1/20 0.33

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
SCHEMBL27778938 0.93 AOC3 (0.42) AOC3PLA2G1BPLA2G2AOPRM1
SCHEMBL14540045 0.84
SCHEMBL23663903 0.80 AOC3 (0.44) AOC3
SCHEMBL1072254 0.78 TSHR (0.40)
SCHEMBL1799094 0.78 TSHR (0.40)
SCHEMBL3237171 0.78 AOC3 (0.46) AOC3
Bromide SCHEMBL11380568 0.75 DNM1 (0.41)
SCHEMBL9451139 0.75 PLA2G1B (0.48) PLA2G1BPLA2G2AOPRM1
SCHEMBL1099979 0.74 MAPK1 (0.39) PLA2G1BPLA2G2A
SCHEMBL2566590 0.74 MAPK1 (0.39) PLA2G1BPLA2G2A

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-4139532-A OPTICAL BRIGHTENERS FOR POLYESTERS AND THEIR BLENDS WITH COTTON BASF AKTIENGESELLSCHAFT (DE) 1979-02-13 US disclosed