SCHEMBL6938930

SCHEMBL6938930

C=CCOc1cc(CCCCCCC(C(=O)O)C(C)C)ccc1C(C)(C)C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
REN P00797 2/20 0.45
LTA4H P09960 1/20 0.41
PPARA Q07869 3/20 0.36
TRPV1 Q8NER1 1/20 0.35
MRGPRX4 Q96LA9 1/20 0.35
ALDH1A1 P00352 2/20 0.34
CYP2D6 P10635 2/20 0.34
PPARG P37231 2/20 0.34
RXRA P19793 1/20 0.34
RXRB P28702 1/20 0.34
RXRG P48443 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
PTGES O14684 1/20 0.33
ALOX5 P09917 1/20 0.33
MAPT P10636 1/20 0.33
PLA2G4A P47712 1/20 0.33
EPHX2 P34913 1/20 0.33
NR1H4 Q96RI1 1/20 0.33
GAA P10253 1/20 0.33

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
SCHEMBL6938924 1.00 REN (0.45) RENLTA4HPPARATRPV1MRGPRX4
SCHEMBL6940931 0.84 MRGPRX4 (0.35) RENPPARATRPV1MRGPRX4PPARG
SCHEMBL6940935 0.84 MRGPRX4 (0.35) RENPPARATRPV1MRGPRX4PPARG
SCHEMBL6947788 0.84 REN (0.45) RENPPARATRPV1MRGPRX4PPARG
SCHEMBL6947793 0.84 REN (0.45) RENPPARATRPV1MRGPRX4PPARG
SCHEMBL6948152 0.82 PPARA (0.43) RENPPARAMRGPRX4PPARGPTGES
SCHEMBL6948146 0.82 PPARA (0.43) RENPPARAMRGPRX4PPARGPTGES
SCHEMBL6948398 0.81 REN (0.36) RENPPARATRPV1MRGPRX4PPARG
SCHEMBL6948396 0.81 REN (0.36) RENPPARATRPV1MRGPRX4PPARG
SCHEMBL6942881 0.79 PPARA (0.42) RENPPARATRPV1MEN1KMT2A

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