SCHEMBL7054847

SCHEMBL7054847

C#CCC(/C=C/c1ccncc1)OC(C)=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JUN P05412 1/20 0.38
NFKB1 P19838 1/20 0.38
SNCA P37840 1/20 0.35
KDM1A O60341 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
SMN1; SMN2 Q16637 4/20 0.33
CYP1A2 P05177 3/20 0.33
RAB9A P51151 3/20 0.33
CYP2D6 P10635 2/20 0.33
KDM4E B2RXH2 2/20 0.33
NPC1 O15118 2/20 0.33
HPGD P15428 2/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
NFE2L2 Q16236 3/20 0.33
KEAP1 Q14145 1/20 0.33
CYP1A1 P04798 2/20 0.33
CYP1B1 Q16678 2/20 0.33

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
SCHEMBL7522228 1.00 JUN (0.38) JUNNFKB1SNCAKDM1AHDAC1
SCHEMBL7052640 0.86 MEN1 (0.40) HDAC1HDAC6SMN1; SMN2CYP1A2CYP2D6
SCHEMBL7052644 0.86 MEN1 (0.40) HDAC1HDAC6SMN1; SMN2CYP1A2CYP2D6
SCHEMBL7522328 0.85 MAPT (0.43) JUNNFKB1SMN1; SMN2CYP1A2RAB9A
SCHEMBL7522335 0.85 MAPT (0.43) JUNNFKB1SMN1; SMN2CYP1A2RAB9A
SCHEMBL7118884 0.78 MAPK1 (0.37) JUNNFKB1SMN1; SMN2CYP1A2RAB9A
SCHEMBL7520907 0.73 JUN (0.39) JUNNFKB1SNCAKDM1AHDAC1
SCHEMBL7051227 0.73 JUN (0.39) JUNNFKB1SNCAKDM1AHDAC1
SCHEMBL7052453 0.73 USP2 (0.40) SMN1; SMN2CYP3A4USP2MAPK1CYP19A1
SCHEMBL10076684 0.66 PPARG (0.47) CYP1A2ALDH1A1

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 6 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
US-20020137152-A1 Fermentation process for epothilones KOSAN BIOSCIENCES, INC. 2002-09-26 US 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
US-20020137152-A1 Fermentation process for epothilones KOSAN BIOSCIENCES, INC. 2002-09-26 US disclosed
WO-2002008440-A2 FERMENTATION PROCESS FOR EPOTHILONES KOSAN BIOSCIENCES, INC. (US) 2002-01-31 WO disclosed