SCHEMBL16601935

SCHEMBL16601935

CCC(=O)OCCCCCCOC(=O)CCNCCSSCCN

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.45
HTR2C P28335 1/20 0.41
LTA4H P09960 2/20 0.36
HTT P42858 1/20 0.36
PRSS1 P07477 1/20 0.35
PRSS2 P07478 1/20 0.35
PRSS3 P35030 1/20 0.35
DGKA P23743 1/20 0.35
CYP1A2 P05177 1/20 0.35
ALDH1A1 P00352 1/20 0.34
FAAH O00519 1/20 0.33
DNM1 Q05193 1/20 0.33
LMNA P02545 1/20 0.33
ACHE P22303 5/20 0.33

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
SCHEMBL16601933 0.99 NAAA (0.42) NAAAHTR2CLTA4HHTTPRSS1
SCHEMBL8738810 0.92 HTR2C (0.51) NAAAHTR2CPRSS1PRSS2PRSS3
SCHEMBL10099923 0.86 ALDH1A1 (0.40) HTR2CLTA4HDGKACYP1A2ALDH1A1
SCHEMBL10099921 0.80 ACHE (0.38) NAAAHTR2CLTA4HPRSS1PRSS2
SCHEMBL17069546 0.79 ACHE (0.31) HTR2CACHE
SCHEMBL8739243 0.78 ACHE (0.31) HTR2CACHE
SCHEMBL11228989 0.78 HTR2C (0.61) NAAAHTR2CPRSS1PRSS2PRSS3
SCHEMBL11240692 0.78 HTR2C (0.61) NAAAHTR2CPRSS1PRSS2PRSS3
SCHEMBL11236824 0.78 HTR2C (0.61) NAAAHTR2CPRSS1PRSS2PRSS3
SCHEMBL11378431 0.78 HTR2C (0.61) NAAAHTR2CPRSS1PRSS2PRSS3

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