SCHEMBL6948258

SCHEMBL6948258

C=C(COc1cc(CCCCCCCC(=O)O)ccc1C(C)(C)C)C(=O)OCC

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 5/20 0.38
MRGPRX4 Q96LA9 1/20 0.37
NPSR1 Q6W5P4 1/20 0.36
PPARG P37231 4/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
MAPT P10636 2/20 0.36
RXFP1 Q9HBX9 2/20 0.36
KDM4E B2RXH2 1/20 0.36
NPC1 O15118 1/20 0.36
CASP3 P42574 1/20 0.36
RAB9A P51151 1/20 0.36
ATM Q13315 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
SENP7 Q9BQF6 1/20 0.36
SENP6 Q9GZR1 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 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
SCHEMBL6948396 0.85 REN (0.36) PPARAMRGPRX4PPARGSMN1; SMN2REN
SCHEMBL6948398 0.85 REN (0.36) PPARAMRGPRX4PPARGSMN1; SMN2REN
SCHEMBL6944389 0.80 REN (0.38) PPARAMRGPRX4PPARGMEN1KMT2A
SCHEMBL6942587 0.74 MRGPRX4 (0.44) MRGPRX4KDM4EALDH1A1RENRXRA
SCHEMBL6948450 0.72 RAF1 (0.49) MRGPRX4MEN1KMT2AMAPTRXFP1
SCHEMBL6948146 0.72 PPARA (0.43) PPARAMRGPRX4PPARGCASP3REN
SCHEMBL6948152 0.72 PPARA (0.43) PPARAMRGPRX4PPARGCASP3REN
Methane SCHEMBL6947967 0.71 RXFP1 (0.40) PPARAPPARGMAPTRXFP1TDP1
SCHEMBL11204989 0.71 MAPT (0.54) MAPTRXFP1SMN1; SMN2ALDH1A1
SCHEMBL11210249 0.71 MAPT (0.54) MAPTRXFP1SMN1; SMN2ALDH1A1

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