SCHEMBL27641985

SCHEMBL27641985

CCCCCCCCCCCCCCCCN[C@@H](CC(=O)OCC)C(=O)OCC

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.44
POLB P06746 1/20 0.42
TSHR P16473 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
HTT P42858 1/20 0.40
EPHX1 P07099 6/20 0.40
MGAM O43451 1/20 0.39
GAA P10253 1/20 0.39
SI P14410 1/20 0.39
MGAM2 Q2M2H8 1/20 0.39
FAAH O00519 1/20 0.38
NOD1 Q9Y239 2/20 0.37
NAAA Q02083 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
SCHEMBL27641987 1.00 KMT2A (0.44) KMT2APOLBTSHRL3MBTL1CYP1A2
SCHEMBL13791979 0.95 KMT2A (0.47) KMT2APOLBTSHRL3MBTL1CYP1A2
SCHEMBL31121509 0.95 KMT2A (0.47) KMT2APOLBTSHRL3MBTL1CYP1A2
SCHEMBL5474645 0.93 KMT2A (0.47) KMT2APOLBTSHRL3MBTL1CYP1A2
SCHEMBL12470925 0.90 KMT2A (0.44) KMT2APOLBTSHRL3MBTL1CYP1A2
SCHEMBL13420165 0.89 KMT2A (0.43) KMT2APOLBTSHRL3MBTL1CYP1A2
SCHEMBL22316560 0.89 NOD1 (0.44) KMT2ATSHREPHX1MGAMGAA
SCHEMBL16239915 0.87 KMT2A (0.42) KMT2APOLBTSHRL3MBTL1CYP1A2
SCHEMBL18595367 0.86 GAA (0.45) KMT2APOLBTSHRL3MBTL1CYP1A2
SCHEMBL30900741 0.86 GAA (0.45) KMT2APOLBTSHRL3MBTL1CYP1A2

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
CN-1882679-A Cleaning composition RECKITT BENCKISER INC (US) 2006-12-20 CN disclosed