SCHEMBL7769580

SCHEMBL7769580

CCCCCCCCCCCC(=O)N[C@@H](CO)CC(C)C

nearest known ligand 0.70

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PLA2G10 O15496 4/20 0.70
MEN1 O00255 2/20 0.61
KMT2A Q03164 2/20 0.61
FAAH O00519 1/20 0.61
MAPK1 P28482 1/20 0.61
CERT1 Q9Y5P4 3/20 0.60
DNM1 Q05193 1/20 0.58
PLA2G2C Q5R387 1/20 0.54
CPT2 P23786 1/20 0.49
CPT1A P50416 1/20 0.49
CPT1B Q92523 1/20 0.49
PSMB5 P28074 1/20 0.48
PLA2G2A P14555 2/20 0.48
PLA2G5 P39877 2/20 0.48

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
SCHEMBL7769502 1.00 PLA2G10 (0.70) PLA2G10MEN1KMT2AFAAHMAPK1
SCHEMBL7769504 1.00 PLA2G10 (0.70) PLA2G10MEN1KMT2AFAAHMAPK1
SCHEMBL12435696 0.91 PLA2G10 (0.61) PLA2G10MEN1KMT2AFAAH
SCHEMBL12435851 0.91 PLA2G10 (0.61) PLA2G10MEN1KMT2AFAAH
SCHEMBL12435701 0.88 CNR2 (0.66) MEN1KMT2A
SCHEMBL2219143 0.88 CNR2 (0.66) MEN1KMT2A
SCHEMBL23799220 0.88 DNM1 (0.68) PLA2G10MEN1KMT2AFAAHMAPK1
SCHEMBL14159281 0.88 DNM1 (0.68) PLA2G10MEN1KMT2AFAAHMAPK1
SCHEMBL3243330 0.88 DNM1 (0.68) PLA2G10MEN1KMT2AFAAHMAPK1
SCHEMBL679967 0.88 DNM1 (0.68) PLA2G10MEN1KMT2AFAAHMAPK1

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-0721446-B1 CHIRAL SURFACTANTS AND METHODS FOR THEIR USE IN CHIRAL SEPARATIONS WATERS CORP (US) 2001-07-18 EP disclosed