SCHEMBL28790628

SCHEMBL28790628

CC(C)c1ccc(Oc2ccc(C(C)C)c(F)c2)cc1F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 3/20 0.41
PTGS1 P23219 2/20 0.40
PTGS2 P35354 2/20 0.40
SOS1 Q07889 1/20 0.38
CARM1 Q86X55 1/20 0.35
AR P10275 1/20 0.35
THRA P10827 3/20 0.34
THRB P10828 3/20 0.34
HTR2A P28223 2/20 0.33
SLC6A4 P31645 2/20 0.33
KCNH2 Q12809 1/20 0.33
BCL2 P10415 1/20 0.33
MCL1 Q07820 1/20 0.33
NR4A1 P22736 1/20 0.33
TRPA1 O75762 1/20 0.33
LMNA P02545 1/20 0.33
CHRM1 P11229 1/20 0.33
SLC6A2 P23975 1/20 0.33
ADRA1A P35348 1/20 0.33
HTR2B P41595 1/20 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
SCHEMBL18737242 0.91 BCL2 (0.44) PTGS1PTGS2BCL2MCL1
SCHEMBL31063437 0.85 CA12 (0.45) PDE2APTGS1PTGS2ADRA1A
SCHEMBL8241491 0.85 CA12 (0.45) PDE2APTGS1PTGS2ADRA1A
SCHEMBL16886107 0.85 ALDH1A1 (0.40) PDE2APTGS1PTGS2CARM1TRPA1
SCHEMBL5018932 0.83 ALDH1A1 (0.43) PDE2APTGS1PTGS2CARM1
SCHEMBL12883118 0.82 PDE2A (0.42) PDE2APTGS1PTGS2CARM1KCNH2
SCHEMBL18119645 0.82 NQO1 (0.48) PDE2APTGS2CARM1
SCHEMBL12883103 0.80 PDE2A (0.63) PDE2A
SCHEMBL10000937 0.79 THRB (0.40) THRATHRBBCL2MCL1NR4A1
SCHEMBL20791990 0.79 MAOA (0.44) PDE2ACARM1LMNA

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
CN-102056897-A Sulfonamide compound and application thereof ASAHI KASEI PHARMA CORP 2011-05-11 CN disclosed