SCHEMBL16601932

SCHEMBL16601932

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

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ACHE P22303 6/20 0.35
PAOX Q6QHF9 1/20 0.35
GSTP1 P09211 1/20 0.33
GSTM2 P28161 1/20 0.33
LTA4H P09960 2/20 0.32
KDM5A P29375 1/20 0.31
KDM4C Q9H3R0 1/20 0.31
FAAH O00519 1/20 0.31
DNM1 Q05193 1/20 0.31
RET P07949 1/20 0.31
HTR2C P28335 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
SCHEMBL16601928 0.99 ACHE (0.37) ACHEPAOXGSTP1GSTM2LTA4H
SCHEMBL16601934 0.99 ACHE (0.37) ACHEPAOXGSTP1GSTM2LTA4H
SCHEMBL10099921 0.85 ACHE (0.38) ACHELTA4HFAAHDNM1HTR2C
SCHEMBL17069546 0.83 ACHE (0.31) ACHEHTR2C
SCHEMBL8739243 0.82 ACHE (0.31) ACHEKDM5AHTR2C
SCHEMBL16140053 0.81 ACHE (0.30) ACHEPAOXHTR2C
SCHEMBL25820448 0.76 ACHE (0.35) ACHEPAOXLTA4HFAAHDNM1
SCHEMBL12792529 0.76 FAAH (0.48) ACHEPAOXFAAHDNM1HTR2C
SCHEMBL889254 0.76 FAAH (0.48) ACHEPAOXFAAHDNM1HTR2C
SCHEMBL12792458 0.76 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