SCHEMBL8917972

SCHEMBL8917972

CCCCCCCCON1C(C)(C)CC(NOC(=O)CC)CC1(C)C

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.40
EPHX2 P34913 8/20 0.35
EPHX1 P07099 2/20 0.35
ACHE P22303 6/20 0.34
GAA P10253 1/20 0.34
MAPK1 P28482 1/20 0.34
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL31540858 0.80 EPHX2 (0.37) EPHX2EPHX1GAAMAPK1HTT
SCHEMBL9041004 0.80 EPHX2 (0.37) EPHX2EPHX1GAAMAPK1HTT
SCHEMBL17883433 0.79 EPHX2 (0.36) EPHX2EPHX1GAAMAPK1HTT
SCHEMBL9354719 0.79 EPHX2 (0.33) EPHX2MAPK1
SCHEMBL17883516 0.78 EPHX1 (0.40) EPHX2EPHX1
SCHEMBL13129125 0.77 NAAA (0.40) NAAAEPHX2EPHX1GAA
SCHEMBL8917966 0.77 NAAA (0.40) NAAAEPHX2
SCHEMBL17888055 0.77 EPHX1 (0.51) EPHX2EPHX1
SCHEMBL22699687 0.77 EPHX2 (0.39) NAAAEPHX2EPHX1ACHE
SCHEMBL185586 0.77 EPHX2 (0.39) NAAAEPHX2EPHX1ACHE

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-5679794-A ACTINIC LIGHT RESISTANCE, PROCESSING HEAT RESISTANCE CIBA-GEIGY CORPORATION (US) 1997-10-21 US disclosed