SCHEMBL11729656

SCHEMBL11729656

CCCCCC(C)(C)NC(=S)NC(=N)N

nearest known ligand 0.45

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SPHK2 Q9NRA0 1/20 0.37
SPHK1 Q9NYA1 1/20 0.37
EPHX1 P07099 1/20 0.33
ALDH1A1 P00352 1/20 0.33
GGPS1 O95749 1/20 0.31
FDPS P14324 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
SCHEMBL11788093 0.79 ALDH1A1 (0.36) EPHX1ALDH1A1GGPS1FDPS
SCHEMBL13998615 0.76 ALDH1A1 (0.39) SPHK2SPHK1EPHX1ALDH1A1FDPS
SCHEMBL11729650 0.75 POLB (0.40) EPHX1ALDH1A1
SCHEMBL11595287 0.75 EPHX1 (0.51) EPHX1
SCHEMBL11595348 0.75 EPHX1 (0.51) EPHX1
SCHEMBL2108064 0.75 SPHK1 (0.41) SPHK2SPHK1EPHX1
SCHEMBL11593228 0.75 EPHX1 (0.51) EPHX1
SCHEMBL11725057 0.74 SPHK1 (0.44) SPHK2SPHK1EPHX1
SCHEMBL11727025 0.74 SPHK1 (0.44) SPHK2SPHK1EPHX1
SCHEMBL11724194 0.74 SPHK1 (0.44) SPHK2SPHK1EPHX1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4045483-A BACTERICIDES, FUNGICIDES STERLING DRUG INC. (US) 1977-08-30 US disclosed
US-4009163-A BACTERICIDES, FUNGICIDES STERLING DRUG INC. (US) 1977-02-22 US disclosed
US-3988370-A BACTERICIDES, FUNGICIDES STERLING DRUG INC. (US) 1976-10-26 US disclosed