SCHEMBL27675692

SCHEMBL27675692

CC(C)c1ccc(C(C)C)c(-c2ccc(F)cc2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.42
HMGCR P04035 3/20 0.41
CYP17A1 P05093 1/20 0.38
PTGS1 P23219 3/20 0.37
PTGS2 P35354 3/20 0.37
KCNH2 Q12809 2/20 0.37
PSEN1 P49768 1/20 0.37
PSEN2 P49810 1/20 0.37
APH1B Q8WW43 1/20 0.37
NCSTN Q92542 1/20 0.37
APH1A Q96BI3 1/20 0.37
PSENEN Q9NZ42 1/20 0.37
TRPA1 O75762 1/20 0.37
CACNA1C Q13936 1/20 0.37
ROCK2 O75116 1/20 0.36
GCGR P47871 2/20 0.36
MAPK13 O15264 1/20 0.35
MAPK12 P53778 1/20 0.35
MAPK11 Q15759 1/20 0.35
MAPK14 Q16539 1/20 0.35

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
SCHEMBL10094417 0.86 ROCK2 (0.39) HMGCRPTGS1PTGS2ROCK2GCGR
SCHEMBL3654907 0.83 ALDH1A1 (0.44) LMNAPTGS1TRPA1CACNA1C
SCHEMBL671994 0.81 TRPA1 (0.46) LMNAPTGS1TRPA1CACNA1C
SCHEMBL3293062 0.81 LMNA (0.45) LMNAPTGS1PTGS2PSEN1PSEN2
SCHEMBL23419418 0.80 KCNH2 (0.47) LMNAPTGS2KCNH2GCGRMAPK14
SCHEMBL22888342 0.80 PTGS1 (0.48) LMNAHMGCRPTGS1PTGS2TRPA1
SCHEMBL12570868 0.79 AKR1C3 (0.50) LMNAPTGS1PTGS2PSEN1PSEN2
SCHEMBL14707683 0.79 PTGS1 (0.46) LMNAHMGCRPTGS1PTGS2PSEN1
SCHEMBL9200036 0.79 GCGR (0.42) HMGCRPTGS1PTGS2ROCK2GCGR
SCHEMBL12570854 0.78 LMNA (0.52) LMNAHMGCRPTGS1PTGS2KCNH2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101002352-B Binder for fuel cell, composition for electrode formation, electrode, and fuel cell using the electrode MITSUI CHEMICALS INC 2010-10-20 CN disclosed
CN-101002352-A Binder for fuel cell, composition for electrode formation, electrode, and fuel cell using the electrode MITSUI CHEMICALS INC (JP) 2007-07-18 CN disclosed