SCHEMBL9301269

SCHEMBL9301269

CCCCCC(=O)CCCC(C)C=O

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.48
MAPT P10636 2/20 0.48
CES2 O00748 4/20 0.41
CES1 P23141 4/20 0.41
FAAH O00519 3/20 0.41
LMNA P02545 2/20 0.40
TRPA1 O75762 2/20 0.40
MEN1 O00255 1/20 0.40
MAPK1 P28482 1/20 0.40
AKR1B1 P15121 1/20 0.40
HAO1 Q9UJM8 1/20 0.40
FFAR4 Q5NUL3 1/20 0.39
DDAH1 O94760 1/20 0.39
GAPDH P04406 1/20 0.39

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
SCHEMBL9316335 0.94 KMT2A (0.52) KMT2AMAPTCES2CES1FAAH
SCHEMBL8773737 0.86 MAPT (0.41) KMT2AMAPTCES2CES1FAAH
SCHEMBL11318349 0.84 TDP1 (0.36)
SCHEMBL6292845 0.82 KMT2A (0.45) KMT2AMAPTCES2CES1FAAH
SCHEMBL8080117 0.81
SCHEMBL13784898 0.81
SCHEMBL277790 0.81
SCHEMBL21853352 0.81 KMT2A (0.48) KMT2AMAPTCES2CES1FAAH
SCHEMBL15054215 0.81 ADH1B (0.44) KMT2AMAPTCES2CES1FAAH
SCHEMBL15544260 0.79 KMT2A (0.56) KMT2AMAPTCES2CES1FAAH

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-5354768-A Use of imidazopyrazole derivatives as analgesics and anti-inflammatory agents SANKYO COMPANY, LIMITED (JP) 1994-10-11 US disclosed