SCHEMBL6948293

SCHEMBL6948293

CC(C)[C@H](O)CCc1ccc(C(C)(C)C)cc1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GRIA4 P48058 1/20 0.45
KCNH2 Q12809 1/20 0.43
TP53 P04637 1/20 0.43
TSHR P16473 1/20 0.43
EPHX1 P07099 1/20 0.43
ESRRG P62508 3/20 0.42
SLC13A5 Q86YT5 2/20 0.41
RECQL P46063 1/20 0.41
ESRRB O95718 1/20 0.40
SIGMAR1 Q99720 2/20 0.39
LMNA P02545 1/20 0.39
TYR P14679 1/20 0.39
GPR84 Q9NQS5 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
SCHEMBL6940712 1.00 GRIA4 (0.45) GRIA4KCNH2TP53TSHREPHX1
SCHEMBL1660004 0.85 GRIA4 (0.47) GRIA4KCNH2TP53TSHREPHX1
SCHEMBL9848367 0.84 KCNH2 (0.42) GRIA4KCNH2TP53TSHRESRRG
SCHEMBL9848370 0.84 KCNH2 (0.42) GRIA4KCNH2TP53TSHRESRRG
SCHEMBL21585480 0.83 ESR1 (0.52) TSHRESRRGESRRBLMNA
SCHEMBL21524662 0.83 CYP1A2 (0.36) GRIA4KCNH2TSHRESRRG
Hydrochloric Acid SCHEMBL9848493 0.82 KCNH2 (0.41) GRIA4KCNH2TP53TSHRESRRG
SCHEMBL5644111 0.79 CYP1A2 (0.45) KCNH2
SCHEMBL108731 0.79 ESR1 (0.52) KCNH2TSHRSIGMAR1LMNA
SCHEMBL14839515 0.78 ADRB2 (0.44) GRIA4KCNH2TP53TSHRESRRG

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