SCHEMBL15865201

SCHEMBL15865201

CCCCCOC(=O)N=NC(=O)O

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.48
HCAR2 Q8TDS4 2/20 0.47
EPHX1 P07099 1/20 0.46
TSHR P16473 4/20 0.44
ALDH1A1 P00352 2/20 0.43
TP53 P04637 1/20 0.42
CYP3A4 P08684 1/20 0.42
MAPK1 P28482 1/20 0.42
RAD52 P43351 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
ATM Q13315 1/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41
FAAH O00519 1/20 0.41
LMNA P02545 1/20 0.41
ACHE P22303 4/20 0.40

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
SCHEMBL15864530 0.98 NAAA (0.52) NAAAHCAR2EPHX1TSHRALDH1A1
SCHEMBL15864900 0.98 NAAA (0.52) NAAAHCAR2EPHX1TSHRALDH1A1
SCHEMBL15864524 0.98 NAAA (0.52) NAAAHCAR2EPHX1TSHRALDH1A1
SCHEMBL158106 0.94 ALDH1A1 (0.50) NAAAHCAR2EPHX1TSHRALDH1A1
SCHEMBL16114719 0.94 ALDH1A1 (0.50) NAAAHCAR2EPHX1TSHRALDH1A1
SCHEMBL1971178 0.94 ALDH1A1 (0.50) NAAAHCAR2EPHX1TSHRALDH1A1
SCHEMBL2677736 0.92 NAAA (0.56) NAAAHCAR2EPHX1TSHRALDH1A1
SCHEMBL2677734 0.92 NAAA (0.56) NAAAHCAR2EPHX1TSHRALDH1A1
SCHEMBL2678899 0.90 NAAA (0.59) NAAAHCAR2EPHX1TSHRALDH1A1
SCHEMBL2677851 0.90 NAAA (0.59) NAAAHCAR2EPHX1TSHRALDH1A1

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
WO-2014107447-A1 FUNCTIONALIZED POLYMERS BRIDGESTONE CORPORATION (JP) 2014-07-10 WO claimed