SCHEMBL9996187

SCHEMBL9996187

CCCCCCCC/N=C(/NCCCO)NCCCCCC

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.46
EPHX1 P07099 6/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
SIGMAR1 Q99720 3/20 0.44
LMNA P02545 2/20 0.43
ALDH1A1 P00352 1/20 0.43
HSD17B10 Q99714 1/20 0.43
TSHR P16473 1/20 0.43
GRIN2D O15399 1/20 0.43
GRIN3B O60391 1/20 0.43
GRIN1 Q05586 1/20 0.43
GRIN2A Q12879 1/20 0.43
GRIN2B Q13224 1/20 0.43
GRIN2C Q14957 1/20 0.43
GRIN3A Q8TCU5 1/20 0.43
CASP2 P42575 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
FAAH O00519 1/20 0.39

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
SCHEMBL9996188 1.00 NAAA (0.46) NAAAEPHX1MEN1KMT2ASIGMAR1
SCHEMBL9996176 0.93 SIGMAR1 (0.47) NAAAEPHX1MEN1KMT2ASIGMAR1
SCHEMBL5458184 0.93 SIGMAR1 (0.47) NAAAEPHX1MEN1KMT2ASIGMAR1
Hydrochloric Acid SCHEMBL5458828 0.91 SIGMAR1 (0.46) NAAAEPHX1MEN1KMT2ASIGMAR1
SCHEMBL8165275 0.90 SIGMAR1 (0.50) NAAAEPHX1MEN1KMT2ASIGMAR1
SCHEMBL6927378 0.88 SIGMAR1 (0.53) NAAAEPHX1MEN1KMT2ASIGMAR1
SCHEMBL6923750 0.88 SIGMAR1 (0.53) NAAAEPHX1MEN1KMT2ASIGMAR1
Methacrylic Acid SCHEMBL9996191 0.87 NAAA (0.43) NAAAEPHX1CASP2FAAH
Methacrylic Acid SCHEMBL9996192 0.87 NAAA (0.43) NAAAEPHX1CASP2FAAH
Hydrochloric Acid SCHEMBL7761653 0.86 SIGMAR1 (0.52) NAAAEPHX1MEN1KMT2ASIGMAR1

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-8076390-B2 Antifouling polymeric agent for marine applications UVIC INDUSTRY PARTNERSHIPS INC. (CA) 2011-12-13 US claimed