SCHEMBL882503

SCHEMBL882503

C=C(NCCO)C1(CCCCCCCCCCCCC2(C(=O)NCCO)CC2)CC1

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 1/20 0.41
CYP4A11 Q02928 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.35
HTT P42858 1/20 0.35
HPGD P15428 2/20 0.31
LMNA P02545 1/20 0.31
NPSR1 Q6W5P4 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
SCHEMBL773741 0.90 CYP4F2 (0.47) CYP4F2CYP4A11SMN1; SMN2HTTHPGD
SCHEMBL772929 0.83 CYP4F2 (0.42) CYP4F2CYP4A11SMN1; SMN2HTTHPGD
SCHEMBL15692289 0.77 CYP4F2 (0.41) CYP4F2CYP4A11SMN1; SMN2HTTHPGD
SCHEMBL798386 0.76 CYP4F2 (0.50) CYP4F2CYP4A11LMNA
SCHEMBL5450521 0.74 SPHK1 (0.50) CYP4F2CYP4A11
SCHEMBL5449643 0.74 SPHK1 (0.50) CYP4F2CYP4A11
SCHEMBL3682206 0.71 SPHK1 (0.54) SMN1; SMN2HPGDLMNA
SCHEMBL22761937 0.69 CYP4F2 (0.38) CYP4F2CYP4A11SMN1; SMN2HPGDLMNA
SCHEMBL28594860 0.66 FAAH (0.46) CYP4F2CYP4A11
SCHEMBL8333228 0.65 SPHK1 (0.54) SMN1; SMN2HPGDLMNANPSR1

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-2012040177-A1 METHODS AND COMPOSITIONS FOR TREATMENT OF DIABETES AND DYSLIPIDEMIA KAREUS THERAPEUTICS, SA (CH) 2012-03-29 WO disclosed