SCHEMBL6944831

SCHEMBL6944831

CC(C)[C@@H](C=O)CCCc1ccc(C(C)(C)C)cc1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.53
TSHR P16473 1/20 0.53
KCNH2 Q12809 1/20 0.45
GRIA4 P48058 1/20 0.43
SIGMAR1 Q99720 5/20 0.41
LMNA P02545 1/20 0.40
ESRRG P62508 2/20 0.40
EPHX1 P07099 1/20 0.38
NR1H4 Q96RI1 1/20 0.38
GPR84 Q9NQS5 1/20 0.38
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
SLC13A5 Q86YT5 2/20 0.36
DAO P14920 1/20 0.36
ACACB O00763 2/20 0.36

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
SCHEMBL11463318 0.80 TP53 (0.69) TP53TSHRGRIA4SIGMAR1EPHX1
SCHEMBL6948447 0.78 KCNH2 (0.55) TP53TSHRKCNH2GRIA4SIGMAR1
SCHEMBL19894770 0.77 TP53 (0.69) TP53TSHRKCNH2GRIA4SIGMAR1
SCHEMBL7873381 0.76 SIGMAR1 (0.43) SIGMAR1
SCHEMBL13778186 0.73 NR1H4 (0.48) TP53TSHRKCNH2GRIA4LMNA
SCHEMBL31573982 0.73 KCNH2 (0.67) TP53TSHRKCNH2GRIA4SIGMAR1
SCHEMBL1068676 0.73 KCNH2 (0.53) TP53TSHRKCNH2GRIA4SIGMAR1
SCHEMBL13008878 0.72 NR1H4 (0.50) KCNH2SIGMAR1LMNAESRRGNR1H4
SCHEMBL10597831 0.72 KCNH2 (0.49) TP53TSHRKCNH2GRIA4SIGMAR1
SCHEMBL115558 0.72 KCNH2 (0.49) TP53TSHRKCNH2GRIA4SIGMAR1

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