SCHEMBL9644464

SCHEMBL9644464

CCCCCCCC(=O)NC(/C=C(\C)C(=O)OCC)CC(C)C

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FAAH O00519 6/20 0.47
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47
MAPK1 P28482 1/20 0.47
PLA2G10 O15496 2/20 0.46
DEGS1 O15121 1/20 0.41
ASAH1 Q13510 1/20 0.41
ASAH2 Q9NR71 1/20 0.40
DNM1 Q05193 1/20 0.40
PSMB5 P28074 1/20 0.39
LPAR3 Q9UBY5 1/20 0.39
PLA2G2A P14555 2/20 0.39
PLA2G5 P39877 2/20 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
SCHEMBL9644467 1.00 FAAH (0.47) FAAHKMT2AMEN1MAPK1PLA2G10
SCHEMBL16566059 0.77 FAAH (0.59) FAAHKMT2AMEN1MAPK1PLA2G10
SCHEMBL6672418 0.77 GLO1 (0.37)
SCHEMBL6672423 0.77 GLO1 (0.37)
Hydrochloric Acid SCHEMBL6673610 0.76 GLO1 (0.36)
Hydrochloric Acid SCHEMBL6673606 0.76 GLO1 (0.36)
SCHEMBL6670901 0.74 CTSK (0.46)
SCHEMBL23834071 0.74 KMT2A (0.60) FAAHKMT2AMEN1MAPK1PLA2G10
SCHEMBL23834069 0.74 KMT2A (0.60) FAAHKMT2AMEN1MAPK1PLA2G10
SCHEMBL7151948 0.73 KMT2A (0.54) FAAHKMT2AMEN1MAPK1PLA2G10

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-0505467-A1 PHARMACOLOGICALLY ACTIVE AMIDE CARBOXYLATE DERIVATIVES Astra Pharmaceuticals Limited (GB) 1992-09-30 EP claimed
WO-1991008737-A2 PHARMACOLOGICALLY ACTIVE AMIDE CARBOXYLATE DERIVATIVES FISONS PLC (GB) 1991-06-27 WO claimed