SCHEMBL5449643

SCHEMBL5449643

CCCCCCCCCCCCCCCCNC(=O)C1(CCCCCCCCCCCCCCCCO)CC1

nearest known ligand 0.50

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 6/20 0.50
NAAA Q02083 1/20 0.49
CYP4F2 P78329 1/20 0.47
CYP4A11 Q02928 1/20 0.47
EPHX1 P07099 5/20 0.47
ACHE P22303 6/20 0.44
CASP2 P42575 1/20 0.43

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
SCHEMBL5450521 1.00 SPHK1 (0.50) SPHK1NAAACYP4F2CYP4A11EPHX1
SCHEMBL3682206 0.95 SPHK1 (0.54) SPHK1NAAAEPHX1CASP2
SCHEMBL8333228 0.88 SPHK1 (0.54) SPHK1NAAAEPHX1CASP2
SCHEMBL17600671 0.86 SPHK1 (0.54) SPHK1NAAAEPHX1CASP2
SCHEMBL29306656 0.83 SPHK1 (0.51) SPHK1NAAAEPHX1CASP2
SCHEMBL28594860 0.83 FAAH (0.46) SPHK1CYP4F2CYP4A11EPHX1
SCHEMBL773741 0.83 CYP4F2 (0.47) SPHK1CYP4F2CYP4A11
SCHEMBL22761937 0.79 CYP4F2 (0.38) SPHK1CYP4F2CYP4A11EPHX1
SCHEMBL18434965 0.78 SPHK1 (0.45) SPHK1EPHX1ACHE
SCHEMBL772929 0.77 CYP4F2 (0.42) CYP4F2CYP4A11

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-20070203320-A1 Melt-processable polyurethanes and a process for their production BAYER MATERIALSCIENCE AG 2007-08-30 US disclosed