SCHEMBL6948450

SCHEMBL6948450

CC(C)(C)c1ccc(CCCCCCCC(=O)O)cc1OCc1ccccn1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 3/20 0.49
MAP2K1 Q02750 3/20 0.49
MRGPRX4 Q96LA9 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC2 Q92769 1/20 0.44
CYSLTR2 Q9NS75 2/20 0.43
CYSLTR1 Q9Y271 2/20 0.43
GAA P10253 1/20 0.42
MAPT P10636 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
SYK P43405 2/20 0.42
AURKB Q96GD4 1/20 0.42
INCENP Q9NQS7 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
MAOB P27338 1/20 0.41
KMO O15229 1/20 0.41
RXRA P19793 1/20 0.41
RXRB P28702 1/20 0.41
RXRG P48443 1/20 0.41

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
SCHEMBL6942587 0.84 MRGPRX4 (0.44) MRGPRX4RXRARXRBRXRGKDM4E
SCHEMBL6944389 0.73 REN (0.38) MRGPRX4MAPTRXFP1MEN1KMT2A
SCHEMBL9237645 0.72 SMN1; SMN2 (0.64) HDAC1HDAC2MAPTRXFP1ALDH1A1
SCHEMBL2960008 0.72 SMN1; SMN2 (0.64) HDAC1HDAC2MAPTRXFP1ALDH1A1
SCHEMBL6948258 0.72 PPARA (0.38) MRGPRX4MAPTRXFP1MEN1KMT2A
Methane SCHEMBL6947967 0.72 RXFP1 (0.40) MAPTRXFP1RXRAALDH1A1
SCHEMBL6949592 0.72 RXFP1 (0.50) MAPTRXFP1ALDH1A1
SCHEMBL2302450 0.71 SMN1; SMN2 (0.66) HDAC1HDAC2MAPTRXFP1ALDH1A1
SCHEMBL7415347 0.69 PPARA (0.58) MAPTRXFP1
SCHEMBL9857811 0.68 SMN1; SMN2 (0.51) MAPTRXFP1ALDH1A1

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