SCHEMBL16601933

SCHEMBL16601933

CCC(=O)OCCCCOC(=O)CCNCCSSCCN

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.42
HTR2C P28335 1/20 0.39
LTA4H P09960 2/20 0.37
CYP1A2 P05177 1/20 0.36
ALDH1A1 P00352 2/20 0.35
HTT P42858 1/20 0.34
LMNA P02545 1/20 0.34
PRSS1 P07477 1/20 0.33
PRSS2 P07478 1/20 0.33
PRSS3 P35030 1/20 0.33
MAPT P10636 1/20 0.33
THRB P10828 1/20 0.33
CNR1 P21554 1/20 0.33
DGKA P23743 1/20 0.33
EPHX2 P34913 4/20 0.32
FAAH O00519 1/20 0.31
DNM1 Q05193 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
SCHEMBL16601935 0.99 NAAA (0.45) NAAAHTR2CLTA4HCYP1A2ALDH1A1
SCHEMBL8738810 0.90 HTR2C (0.51) NAAAHTR2CALDH1A1PRSS1PRSS2
SCHEMBL10099923 0.87 ALDH1A1 (0.40) HTR2CLTA4HCYP1A2ALDH1A1LMNA
SCHEMBL10099921 0.79 ACHE (0.38) NAAAHTR2CLTA4HLMNAPRSS1
SCHEMBL17069546 0.78 ACHE (0.31) HTR2C
SCHEMBL16929670 0.77 HTR2C (0.58) NAAAHTR2CALDH1A1PRSS1PRSS2
SCHEMBL8739243 0.77 ACHE (0.31) HTR2C
SCHEMBL16140053 0.76 ACHE (0.30) HTR2C
SCHEMBL11236824 0.76 HTR2C (0.61) NAAAHTR2CALDH1A1PRSS1PRSS2
SCHEMBL11228989 0.76 HTR2C (0.61) NAAAHTR2CALDH1A1PRSS1PRSS2

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