SCHEMBL20844358

SCHEMBL20844358

CCCCC(C)(C)C(=O)CCC(C)(N)N

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FDPS P14324 3/20 0.39
FAAH O00519 8/20 0.36
CES1 P23141 8/20 0.35
CES2 O00748 5/20 0.35
MEN1 O00255 1/20 0.35
CYP1A2 P05177 1/20 0.35
KMT2A Q03164 1/20 0.35
HSD17B10 Q99714 1/20 0.35
SMPD1 P17405 2/20 0.33
ALDH1A1 P00352 1/20 0.33
AKR1B1 P15121 1/20 0.32

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
SCHEMBL8896813 0.83 FAAH (0.41) FAAHCES1CES2MEN1CYP1A2
SCHEMBL8897721 0.79 FAAH (0.57) FAAHCES1CES2MEN1CYP1A2
SCHEMBL19333175 0.78 FAAH (0.38) FDPSFAAHCES1CES2MEN1
SCHEMBL14042583 0.76 FAAH (0.38) FDPSFAAHCES1CES2MEN1
SCHEMBL11547455 0.76 FAAH (0.41) FDPSFAAHCES1CES2MEN1
SCHEMBL22956013 0.76 FAAH (0.41) FAAHCES1CES2MEN1CYP1A2
SCHEMBL23771663 0.76 CYP4F2 (0.35) FAAHCES1CES2MEN1CYP1A2
SCHEMBL7205821 0.75 FAAH (0.38) FAAHCES1CES2MEN1CYP1A2
SCHEMBL8897279 0.75 FAAH (0.57) FAAHCES1CES2MEN1CYP1A2
SCHEMBL8899029 0.75 FAAH (0.47) FAAHCES1CES2MEN1CYP1A2

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-3233209-B1 COSMETIC METHOD FOR CONTROLLING ODORS OREAL (FR) 2019-03-27 EP disclosed