SCHEMBL7051816

SCHEMBL7051816

CC(=O)OCCC#Cc1ccncc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.40
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
PIK3CG P48736 3/20 0.37
CHRM2 P08172 1/20 0.37
GRM5 P41594 1/20 0.37
SIGMAR1 Q99720 1/20 0.37
CNR1 P21554 1/20 0.36
ACACB O00763 2/20 0.36
CYP19A1 P11511 1/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.35
CHRM5 P08912 1/20 0.34
CHRM1 P11229 1/20 0.34
CHRM3 P20309 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
BCHE P06276 1/20 0.34
DRD2 P14416 1/20 0.34
DRD4 P21917 1/20 0.34

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
SCHEMBL7055462 0.83 ALDH1A1 (0.46) FFAR1CYP1A2CYP3A4NPSR1PPARG
SCHEMBL7054843 0.82 CHRNB2 (0.55) FFAR1KMT2AMEN1CYP1A2CYP3A4
SCHEMBL45751 0.73 KMT2A (0.42) KMT2A
SCHEMBL12445284 0.72 ALDH1A1 (0.50) CHRM2CHRM5CHRM1CHRM3
SCHEMBL10324673 0.72 POLB (0.43) FFAR1CNR1ACACBPPARGPPARD
SCHEMBL46934 0.72 ALDH1A1 (0.38) KMT2AMEN1CYP1A2CYP3A4CNR1
SCHEMBL13139397 0.71 SOST (0.55) FFAR1KMT2AMEN1CHRM2GRM5
SCHEMBL6980856 0.71 MAPK14 (0.43) FFAR1DRD2DRD4DRD3
SCHEMBL21623413 0.70 HDAC8 (0.42) FFAR1CYP1A2CYP3A4GRM5DRD2
SCHEMBL21623412 0.70 HDAC8 (0.42) FFAR1CYP1A2CYP3A4PIK3CGGRM5

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1303615-A2 FERMENTATION PROCESS FOR EPOTHILONES Kosan Biosciences, Inc. (US) 2003-04-23 EP claimed
WO-2002008440-A2 FERMENTATION PROCESS FOR EPOTHILONES KOSAN BIOSCIENCES, INC. (US) 2002-01-31 WO claimed
EP-1303615-A2 FERMENTATION PROCESS FOR EPOTHILONES Kosan Biosciences, Inc. (US) 2003-04-23 EP disclosed
WO-2002008440-A2 FERMENTATION PROCESS FOR EPOTHILONES KOSAN BIOSCIENCES, INC. (US) 2002-01-31 WO disclosed