SCHEMBL13069749

SCHEMBL13069749

CC(=O)OC(C)c1c(C)ccc(F)c1C

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 2/20 0.36
CHRM1 P11229 2/20 0.36
RRM1 P23921 2/20 0.36
RRM2B Q7LG56 2/20 0.36
TSHR P16473 1/20 0.33
PGR P06401 1/20 0.32
PTGS1 P23219 1/20 0.32
PDE4A P27815 1/20 0.32
ACHE P22303 1/20 0.32
CYP4F2 P78329 1/20 0.31
CYP4A11 Q02928 1/20 0.31
ABCB1 P08183 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
HDAC1 Q13547 1/20 0.30
HDAC6 Q9UBN7 1/20 0.30
AKR1C3 P42330 2/20 0.30
AKR1C2 P52895 2/20 0.30
MMP12 P39900 1/20 0.30

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
SCHEMBL13069750 0.84 CHRM2 (0.40) CHRM2CHRM1RRM1RRM2BTSHR
SCHEMBL28022516 0.75 CES2 (0.43) TSHRPGRPTGS1PDE4AMMP12
SCHEMBL13069751 0.72 DAO (0.33) ACHE
SCHEMBL5005733 0.72 MET (0.46)
SCHEMBL1582077 0.72 MET (0.46)
SCHEMBL5008088 0.72 MET (0.46)
SCHEMBL22222494 0.72 ACHE (0.33) PTGS1ACHE
SCHEMBL11570628 0.70 CD44 (0.38) TSHRTDP1MMP12
SCHEMBL22201767 0.69 HDAC3 (0.41) TSHRPGRPTGS1PDE4AHDAC1
SCHEMBL28758397 0.69 TSHR (0.39) TSHRACHE

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-1959955-B1 METHOD OF TREATING ABNORMAL CELL GROWTH PFIZER PROD INC (US) 2010-11-17 EP disclosed