SCHEMBL11275485

SCHEMBL11275485

CCCCCCCCCCCCCCCCCC(C)(C(=O)[O-])[N+](C)(C)CC

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CES2 O00748 5/20 0.38
CA2 P00918 1/20 0.38
CES1 P23141 7/20 0.38
KMT2A Q03164 2/20 0.36
HTT P42858 1/20 0.36
DNM1 Q05193 1/20 0.36
FAAH O00519 6/20 0.36
MEN1 O00255 1/20 0.36
CYP1A2 P05177 1/20 0.36
HSD17B10 Q99714 1/20 0.36

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
SCHEMBL9187822 1.00 CES2 (0.38) CES2CA2CES1KMT2AHTT
SCHEMBL331855 1.00 CES2 (0.38) CES2CA2CES1KMT2AHTT
SCHEMBL11278345 1.00 CES2 (0.38) CES2CA2CES1KMT2AHTT
SCHEMBL11275533 1.00 CES2 (0.38) CES2CA2CES1KMT2AHTT
SCHEMBL11272421 1.00 CES2 (0.38) CES2CA2CES1KMT2AHTT
SCHEMBL5606485 1.00 CES2 (0.38) CES2CA2CES1KMT2AHTT
SCHEMBL11135669 0.98 BBOX1 (0.36) CES2CA2CES1KMT2AHTT
SCHEMBL6925772 0.91 FABP3 (0.49) CES1FAAHCYP1A2HSD17B10
SCHEMBL7892633 0.88 HTT (0.42) CES2KMT2AHTTDNM1
SCHEMBL18139069 0.88 HTT (0.42) CES2KMT2AHTTDNM1

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-4331447-A ADDING AN OIL FRACTION AS A BINDER TO AN AQUEOUS SLURRY SANYO CHEMICAL INDUSTRIES, LTD. (JP) 1982-05-25 US disclosed