SCHEMBL4054411

SCHEMBL4054411

CCCCCCCCCC(=O)CCCCCCCCc1nncs1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.43
KMT2A Q03164 1/20 0.43
CES1 P23141 1/20 0.42
AKT1 P31749 7/20 0.41
PDPK1 O15530 1/20 0.40
ABCB11 O95342 1/20 0.40
AKT2 P31751 1/20 0.40
GAB1 Q13480 1/20 0.40
AKT3 Q9Y243 1/20 0.40
ALDH1A1 P00352 1/20 0.38
SCD O00767 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
PLA2G4A P47712 1/20 0.38
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C8 P10632 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2B6 P20813 1/20 0.37
CYP2C19 P33261 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
SCHEMBL21144279 0.87 ALDH1A1 (0.47) AKT1PDPK1ABCB11AKT2GAB1
SCHEMBL5556928 0.85 ALDH1A1 (0.44) KMT2AAKT1PDPK1ABCB11AKT2
SCHEMBL4660784 0.80
SCHEMBL25006980 0.72 POLB (0.35) MAPTKMT2ACES1AKT1ALDH1A1
SCHEMBL21044689 0.70 KMT2A (0.80) MAPTKMT2ACES1ALDH1A1
SCHEMBL23530133 0.70 KMT2A (0.80) MAPTKMT2ACES1ALDH1A1
SCHEMBL23530132 0.70 KMT2A (0.80) MAPTKMT2ACES1ALDH1A1
SCHEMBL21044653 0.70 KMT2A (0.80) MAPTKMT2ACES1ALDH1A1
SCHEMBL21044669 0.70 KMT2A (0.80) MAPTKMT2ACES1ALDH1A1
SCHEMBL23748450 0.70 KMT2A (0.80) MAPTKMT2ACES1ALDH1A1

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
EP-1549624-B1 INHIBITORS OF FATTY ACID AMIDE HYDROLASE SCRIPPS RESEARCH INST (US) 2009-05-13 EP disclosed