SCHEMBL6948447

SCHEMBL6948447

CC(C)CCCc1ccc(C(C)(C)C)cc1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.55
SIGMAR1 Q99720 6/20 0.49
GRIA4 P48058 1/20 0.47
TP53 P04637 1/20 0.46
TSHR P16473 1/20 0.46
LMNA P02545 1/20 0.44
ESRRG P62508 2/20 0.43
GRIN2D O15399 1/20 0.41
GRIN2A Q12879 1/20 0.41
GRIN2B Q13224 1/20 0.41
GRIN2C Q14957 1/20 0.41
NR1H4 Q96RI1 1/20 0.41
SLC13A5 Q86YT5 2/20 0.39
DAO P14920 1/20 0.39
EBP Q15125 1/20 0.39

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
SCHEMBL31573982 0.83 KCNH2 (0.67) KCNH2SIGMAR1GRIA4TP53TSHR
SCHEMBL12197969 0.82 FDFT1 (0.54) KCNH2DAO
SCHEMBL10597831 0.82 KCNH2 (0.49) KCNH2SIGMAR1GRIA4TP53TSHR
SCHEMBL115558 0.82 KCNH2 (0.49) KCNH2SIGMAR1GRIA4TP53TSHR
SCHEMBL582269 0.79 ESRRG (0.51) KCNH2SIGMAR1GRIA4TP53TSHR
SCHEMBL13778186 0.79 NR1H4 (0.48) KCNH2GRIA4TP53TSHRLMNA
SCHEMBL3090240 0.78 GRIA4 (0.46) KCNH2SIGMAR1GRIA4TP53TSHR
SCHEMBL13008878 0.78 NR1H4 (0.50) KCNH2SIGMAR1LMNAESRRGNR1H4
SCHEMBL6944831 0.78 TP53 (0.53) KCNH2SIGMAR1GRIA4TP53TSHR
SCHEMBL7456580 0.78 KCNH2 (0.59) KCNH2SIGMAR1GRIA4TP53TSHR

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
WO-2003103653-A1 METHODS OF TREATING ALZHEIMER'S DISEASE USING ARYL ALKANOIC ACID AMIDES ELAN PHARMACEUTICALS, INC. (US) 2003-12-18 WO disclosed