SCHEMBL6941123

SCHEMBL6941123

CCC(CCCCCCc1ccc(C(C)(C)C)cc1)C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 1/20 0.46
▸ CA2 P00918 1/20 0.46
▸ MAPK1 P28482 1/20 0.46
▸ NR1H4 Q96RI1 1/20 0.45
▸ LMNA P02545 1/20 0.45
▸ PPARD Q03181 2/20 0.45
▸ PPARA Q07869 2/20 0.45
▸ ESRRG P62508 2/20 0.44
▸ SLC13A5 Q86YT5 2/20 0.43
▸ PPARG P37231 1/20 0.43
▸ S1PR2 O95136 2/20 0.43
▸ S1PR1 P21453 2/20 0.43
▸ S1PR4 O95977 1/20 0.42
▸ S1PR3 Q99500 1/20 0.42

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
SCHEMBL6941118 1.00 KCNH2 (0.46) KCNH2CA2MAPK1NR1H4LMNA
SCHEMBL2343543 0.85 CA2 (0.49) CA2MAPK1PPARDPPARAPPARG
SCHEMBL11050992 0.84 GRIK1 (0.56) CA2MAPK1PPARG
SCHEMBL29650381 0.84 GRIK1 (0.56) CA2MAPK1PPARG
SCHEMBL586255 0.83 GRIK1 (0.58) CA2MAPK1PPARG
SCHEMBL27483782 0.82 KCNH2 (0.46) KCNH2NR1H4LMNAESRRGSLC13A5
SCHEMBL6943972 0.81 KCNH2 (0.45) KCNH2NR1H4LMNAESRRGSLC13A5
SCHEMBL6943978 0.81 KCNH2 (0.45) KCNH2NR1H4LMNAESRRGSLC13A5
SCHEMBL13008878 0.80 NR1H4 (0.50) KCNH2NR1H4LMNAESRRGSLC13A5
SCHEMBL5801002 0.80 PPARG (0.57) PPARDPPARAPPARG

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
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