SCHEMBL6938995

SCHEMBL6938995

COCCCOc1cc([C@H](CC(=O)O)C(C)C)ccc1OC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
REN P00797 12/20 0.44
PDE4A P27815 1/20 0.44
PDE4B Q07343 1/20 0.44
PDE4C Q08493 1/20 0.44
PDE4D Q08499 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
KMT2A Q03164 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
POLB P06746 2/20 0.44
TNF P01375 1/20 0.43
FDPS P14324 1/20 0.42
HTR1A P08908 2/20 0.42
ADRA1D P25100 2/20 0.42
HTR2A P28223 2/20 0.42
ADRA1A P35348 2/20 0.42
ADRA1B P35368 2/20 0.42
HTR2B P41595 2/20 0.42

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
SCHEMBL6947321 0.82 PPARG (0.43) RENCYP1A2CYP2C9CYP2C19KMT2A
SCHEMBL6946632 0.82 CYP1A2 (0.42) RENCYP1A2CYP2C9CYP2C19KMT2A
SCHEMBL16511351 0.80 ACHE (0.54) RENCYP1A2CYP2C9CYP2C19KMT2A
SCHEMBL21358212 0.78 REN (0.58) REN
SCHEMBL6229093 0.77 PDE4B (0.49) PDE4APDE4BPDE4CPDE4DKMT2A
SCHEMBL27930278 0.76 STAT3 (0.45) REN
SCHEMBL8355373 0.74 ALDH1A1 (0.54) PDE4APDE4BPDE4CPDE4DCYP1A2
SCHEMBL8355366 0.74 ALDH1A1 (0.54) PDE4APDE4BPDE4CPDE4DCYP1A2
SCHEMBL8355369 0.74 ALDH1A1 (0.54) PDE4APDE4BPDE4CPDE4DCYP1A2
SCHEMBL2433356 0.74 FDPS (0.46) RENCYP1A2CYP2C9CYP2C19KMT2A

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