SCHEMBL16601934

SCHEMBL16601934

CCCSSCCNCCC(=O)OCCCCOC(=O)CCN(CC)CCCCCO

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ACHE P22303 6/20 0.37
PAOX Q6QHF9 1/20 0.37
GSTP1 P09211 1/20 0.34
GSTM2 P28161 1/20 0.34
FAAH O00519 1/20 0.33
DNM1 Q05193 1/20 0.33
HTR2C P28335 1/20 0.32
NAAA Q02083 1/20 0.31
DGKA P23743 1/20 0.31
LTA4H P09960 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
THPO P40225 1/20 0.31
MTOR P42345 1/20 0.31
MEN1 O00255 1/20 0.31
PMP22 Q01453 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL16601928 1.00 ACHE (0.37) ACHEPAOXGSTP1GSTM2FAAH
SCHEMBL16601932 0.99 ACHE (0.35) ACHEPAOXGSTP1GSTM2FAAH
SCHEMBL10099921 0.86 ACHE (0.38) ACHEFAAHDNM1HTR2CNAAA
SCHEMBL17069546 0.84 ACHE (0.31) ACHEHTR2C
SCHEMBL8739243 0.83 ACHE (0.31) ACHEHTR2CMEN1KMT2A
SCHEMBL16140053 0.82 ACHE (0.30) ACHEPAOXHTR2C
SCHEMBL25820448 0.78 ACHE (0.35) ACHEPAOXFAAHDNM1LTA4H
SCHEMBL889254 0.77 FAAH (0.48) ACHEPAOXFAAHDNM1HTR2C
SCHEMBL12792529 0.77 FAAH (0.48) ACHEPAOXFAAHDNM1HTR2C
SCHEMBL12792458 0.77 FAAH (0.48) ACHEPAOXFAAHDNM1HTR2C

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-8992991-B2 Multicomponent degradable cationic polymers THE JOHNS HOPKINS UNIVERSITY (US) 2015-03-31 US disclosed