SCHEMBL10786116

SCHEMBL10786116

CC(C)(N)CCC(C)(C)N.CNCCCCCCNC

nearest known ligand 0.48

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.48
GRM4 Q14833 1/20 0.41
SIGMAR1 Q99720 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.32
PAOX Q6QHF9 1/20 0.31

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
SCHEMBL10145416 0.90 EPHX1 (0.42) EPHX1GRM4SIGMAR1L3MBTL1PAOX
SCHEMBL7259738 0.86
SCHEMBL344064 0.80
SCHEMBL9233402 0.77 EPHX1 (0.46) EPHX1SIGMAR1L3MBTL1PAOX
SCHEMBL8401518 0.77 EPHX1 (0.46) EPHX1SIGMAR1L3MBTL1PAOX
SCHEMBL9105070 0.77 EPHX1 (0.46) EPHX1SIGMAR1L3MBTL1PAOX
SCHEMBL8404185 0.77 EPHX1 (0.46) EPHX1SIGMAR1L3MBTL1PAOX
SCHEMBL7519363 0.76 EPHX1 (0.73) EPHX1SIGMAR1L3MBTL1PAOX
SCHEMBL7519351 0.76 EPHX1 (0.73) EPHX1SIGMAR1L3MBTL1PAOX
SCHEMBL7518935 0.76 EPHX1 (0.73) EPHX1SIGMAR1L3MBTL1PAOX

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
EP-0126935-B1 HYDROCARBON OXIDATE COMPOSITION ASHLAND OIL, INC. (US) 1987-10-07 EP disclosed