SCHEMBL7522335

SCHEMBL7522335

C#CCC(C=Cc1cccnc1)OC(C)=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.43
RAB9A P51151 3/20 0.43
NPC1 O15118 2/20 0.43
KDM4E B2RXH2 1/20 0.43
JUN P05412 1/20 0.43
NFKB1 P19838 1/20 0.43
MAPK1 P28482 1/20 0.43
GPR55 Q9Y2T6 1/20 0.43
LMNA P02545 2/20 0.41
APAF1 O14727 1/20 0.41
POLB P06746 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
ALDH1A1 P00352 1/20 0.41
CYP1A1 P04798 6/20 0.40
CYP1A2 P05177 6/20 0.40
CYP1B1 Q16678 6/20 0.40
PFKFB3 Q16875 1/20 0.39
TBXAS1 P24557 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL7522328 1.00 MAPT (0.43) MAPTRAB9ANPC1KDM4EJUN
SCHEMBL7118884 0.92 MAPK1 (0.37) MAPTRAB9ANPC1KDM4EJUN
SCHEMBL7522228 0.85 JUN (0.38) MAPTRAB9ANPC1KDM4EJUN
SCHEMBL7054847 0.85 JUN (0.38) MAPTRAB9ANPC1KDM4EJUN
SCHEMBL7052644 0.84 MEN1 (0.40) MAPTNPC1LMNATDP1L3MBTL1
SCHEMBL7052640 0.84 MEN1 (0.40) MAPTNPC1LMNATDP1L3MBTL1
SCHEMBL7052809 0.76 CYP11B1 (0.46) MAPTRAB9ANPC1KDM4EJUN
SCHEMBL7523335 0.76 CYP11B1 (0.46) MAPTRAB9ANPC1KDM4EJUN
SCHEMBL7529301 0.73 ALDH1A1 (0.46) MAPK1LMNAPOLBL3MBTL1ALDH1A1
SCHEMBL17787987 0.70 RAB9A (0.56) MAPTRAB9ANPC1KDM4EJUN

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
US-20020137152-A1 Fermentation process for epothilones KOSAN BIOSCIENCES, INC. 2002-09-26 US disclosed