SCHEMBL7052809

SCHEMBL7052809

C#CCC(O)/C=C/c1cccnc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 1/20 0.46
CYP11B2 P19099 1/20 0.46
MAPT P10636 3/20 0.45
RAB9A P51151 3/20 0.45
NPC1 O15118 2/20 0.45
MAPK1 P28482 2/20 0.45
KDM4E B2RXH2 1/20 0.45
JUN P05412 1/20 0.45
NFKB1 P19838 1/20 0.45
GPR55 Q9Y2T6 1/20 0.45
TBXAS1 P24557 1/20 0.43
ALOX5 P09917 3/20 0.41
CHRNB2 P17787 2/20 0.41
CHRNA4 P43681 2/20 0.41
PTGS1 P23219 2/20 0.41
PTGS2 P35354 2/20 0.41
KMT2A Q03164 4/20 0.41
MEN1 O00255 2/20 0.41
ALDH1A1 P00352 2/20 0.41
CYP2D6 P10635 2/20 0.40

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
SCHEMBL7523335 1.00 CYP11B1 (0.46) CYP11B1CYP11B2MAPTRAB9ANPC1
SCHEMBL7051227 0.81 JUN (0.39) CYP11B2MAPTRAB9ANPC1KDM4E
SCHEMBL7520907 0.81 JUN (0.39) CYP11B2MAPTRAB9ANPC1KDM4E
SCHEMBL7521391 0.80 CYP1A2 (0.41) MAPTKMT2AMEN1ALDH1A1CYP2D6
SCHEMBL7521388 0.80 CYP1A2 (0.41) MAPTKMT2AMEN1ALDH1A1CYP2D6
SCHEMBL15195462 0.80 CYP1A2 (0.41) MAPTKMT2AMEN1ALDH1A1CYP2D6
SCHEMBL10193817 0.77 ALOX5 (0.55) CYP11B1CYP11B2MAPTRAB9ANPC1
SCHEMBL7522335 0.76 MAPT (0.43) CYP11B1CYP11B2MAPTRAB9ANPC1
SCHEMBL7522328 0.76 MAPT (0.43) CYP11B1CYP11B2MAPTRAB9ANPC1
SCHEMBL6450540 0.71 CHRNB2 (0.53) CYP11B1CYP11B2MAPTRAB9ANPC1

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 3 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 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