SCHEMBL19901531

SCHEMBL19901531

CCCCC(=N)C(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CES1 P23141 6/20 0.39
CES2 O00748 5/20 0.39
SPHK2 Q9NRA0 1/20 0.39
SPHK1 Q9NYA1 1/20 0.39
ALDH1A1 P00352 3/20 0.36
TP53 P04637 1/20 0.36
CA1 P00915 1/20 0.35
NOS3 P29474 1/20 0.32
NOS1 P29475 1/20 0.32
NOS2 P35228 1/20 0.32
TSHR P16473 2/20 0.32
LMNA P02545 1/20 0.32
FAAH O00519 1/20 0.31
AKR1B1 P15121 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.30
THRB P10828 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
SCHEMBL8920214 0.82
SCHEMBL18665338 0.76
SCHEMBL27430884 0.75 CES1 (0.33) CES1CES2SPHK2SPHK1ALDH1A1
SCHEMBL23379957 0.74 ALDH1A1 (0.37) ALDH1A1TSHR
SCHEMBL20939509 0.74 CES1 (0.33) CES1CES2SPHK2SPHK1ALDH1A1
SCHEMBL10412145 0.71 CES1 (0.43) CES1CES2ALDH1A1TP53CA1
SCHEMBL1170343 0.69
SCHEMBL20198785 0.69
SCHEMBL9140267 0.69 CES1 (0.42) CES1CES2SPHK2SPHK1ALDH1A1
SCHEMBL20939907 0.67 SPHK2 (0.40) CES1CES2SPHK2SPHK1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9907742-B2 Consumer goods product comprising functionalised lignin oligomer THE PROCTER & GAMBLE COMPANY (US) 2018-03-06 US disclosed
US-9902812-B2 Consumer goods product comprising functionalised lignin oligomer THE PROCTER & GAMBLE COMPANY (US) 2018-02-27 US disclosed