SCHEMBL6942587

SCHEMBL6942587

CC(C)(C)c1ccc(CCCCCCCC(=O)O)cc1OCc1ccncc1

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 1/20 0.44
RXRA P19793 1/20 0.44
RXRB P28702 1/20 0.44
RXRG P48443 1/20 0.44
REN P00797 1/20 0.44
FFAR4 Q5NUL3 3/20 0.43
TBXAS1 P24557 7/20 0.41
ALDH1A1 P00352 1/20 0.41
FFAR1 O14842 3/20 0.40
KDM4E B2RXH2 1/20 0.40

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
SCHEMBL6948450 0.84 RAF1 (0.49) MRGPRX4RXRARXRBRXRGFFAR4
SCHEMBL6944389 0.75 REN (0.38) MRGPRX4RXRARENFFAR4
SCHEMBL6948258 0.74 PPARA (0.38) MRGPRX4RXRARENALDH1A1KDM4E
Methane SCHEMBL6947967 0.74 RXFP1 (0.40) RXRATBXAS1ALDH1A1
SCHEMBL6949592 0.74 RXFP1 (0.50) ALDH1A1
SCHEMBL8816958 0.73 MAPT (0.69) TBXAS1ALDH1A1FFAR1
Hydrochloric Acid SCHEMBL29119942 0.72 MAPT (0.67) TBXAS1ALDH1A1FFAR1
SCHEMBL1677606 0.72 MAPT (0.66) TBXAS1ALDH1A1FFAR1
SCHEMBL10935708 0.70 MAPT (0.47) RXRARXRBRXRGALDH1A1
SCHEMBL7415347 0.69 PPARA (0.58)

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