SCHEMBL8780794

SCHEMBL8780794

CCCCCCCCCCCCCC(CC(=O)OCCC)N(C)C

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 1/20 0.45
NAAA Q02083 1/20 0.44
DGKA P23743 1/20 0.44
ZDHHC7 Q9NXF8 1/20 0.40
NPSR1 Q6W5P4 2/20 0.39
RAD52 P43351 1/20 0.39
GPR84 Q9NQS5 5/20 0.39
FAAH O00519 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
MAPT P10636 1/20 0.38
MAPK1 P28482 1/20 0.38
ALDH1A1 P00352 1/20 0.37
HTR2C P28335 1/20 0.37

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
SCHEMBL23781853 1.00 DNM1 (0.45) DNM1NAAADGKAZDHHC7NPSR1
SCHEMBL28134394 1.00 DNM1 (0.45) DNM1NAAADGKAZDHHC7NPSR1
SCHEMBL28173042 0.94 NAAA (0.49) DNM1NAAADGKAZDHHC7NPSR1
Ammonia Solution, Strong SCHEMBL11578523 0.85 DNM1 (0.44) DNM1NAAADGKAZDHHC7NPSR1
SCHEMBL5075384 0.80 TLR4 (0.51) DNM1NAAADGKAZDHHC7NPSR1
SCHEMBL5076562 0.80 TLR4 (0.51) DNM1NAAADGKAZDHHC7NPSR1
SCHEMBL5074137 0.80 TLR4 (0.51) DNM1NAAADGKAZDHHC7NPSR1
SCHEMBL5075448 0.80 TLR4 (0.51) DNM1NAAADGKAZDHHC7NPSR1
SCHEMBL28153393 0.79 NAAA (0.51) DNM1NAAADGKAZDHHC7NPSR1
SCHEMBL18995463 0.78 DNM1 (0.38) DNM1NAAADGKANPSR1L3MBTL1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0766691-A1 HYDROXYALKYLAMMONIUM-PYRIMIDINES OR PURINES AND NUCLEOSIDE DERIVATIVES, USEFUL AS INHIBITORS OF INFLAMMATORY CYTOKINES MACRONEX, INC. (US) 1997-04-09 EP disclosed
WO-1995035304-A1 HYDROXYALKYLAMMONIUM-PYRIMIDINES OR PURINES AND NUCLEOSIDE DERIVATIVES, USEFUL AS INHIBITORS OF INFLAMMATORY CYTOKINES MACRONEX, INC. (US) 1995-12-28 WO disclosed