SCHEMBL6940748

SCHEMBL6940748

CC(C)[C@@H](O)CCc1ccc(C(C)(C)C)c(OCc2ccccc2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 1/20 0.48
RXRA P19793 1/20 0.47
RXRB P28702 1/20 0.47
RXRG P48443 1/20 0.47
MRGPRX4 Q96LA9 1/20 0.45
FFAR4 Q5NUL3 1/20 0.41
TRPA1 O75762 1/20 0.40
REN P00797 1/20 0.39
MTNR1A P48039 2/20 0.38
MTNR1B P49286 2/20 0.38
APP P05067 1/20 0.38
ABCB1 P08183 3/20 0.38
HTR1A P08908 2/20 0.38
DRD2 P14416 2/20 0.38
BCHE P06276 1/20 0.38
ABCG2 Q9UNQ0 1/20 0.38
FFAR1 O14842 1/20 0.38
GAA P10253 1/20 0.38
ATM Q13315 1/20 0.38
KDM4E B2RXH2 1/20 0.38

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
SCHEMBL6949100 1.00 ALOX5AP (0.48) ALOX5APRXRARXRBRXRGMRGPRX4
SCHEMBL6044614 0.78 ALOX5AP (0.48) ALOX5APRXRARXRBRXRGMRGPRX4
SCHEMBL6044456 0.78 ALOX5AP (0.48) ALOX5APRXRARXRBRXRGMRGPRX4
SCHEMBL6044462 0.78 ALOX5AP (0.48) ALOX5APRXRARXRBRXRGMRGPRX4
SCHEMBL6943578 0.78 MTNR1A (0.46) RENMTNR1AMTNR1BAPPBCHE
SCHEMBL6943329 0.77 CYP4F2 (0.61) ABCB1HTR1ADRD2BCHEFFAR1
SCHEMBL4642584 0.76 ALOX5AP (0.55) ALOX5APRXRARXRBRXRGMRGPRX4
SCHEMBL6949104 0.75 ALOX5AP (0.47) ALOX5APRXRARXRBRXRGMRGPRX4
SCHEMBL6940750 0.75 ALOX5AP (0.47) ALOX5APRXRARXRBRXRGMRGPRX4
SCHEMBL6943813 0.74 REN (0.40) TRPA1RENDRD2KDM4ECYP1A2

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