SCHEMBL6944825

SCHEMBL6944825

COCCCOc1cc(CCCCCCC(C(=O)O)(C(C)C)C(C)C)cc2c1OCCO2

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.35
KDM4E B2RXH2 1/20 0.35
POLB P06746 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
PLK1 P53350 1/20 0.34
REN P00797 7/20 0.34
MTNR1A P48039 4/20 0.34
RET P07949 3/20 0.33
CYP3A4 P08684 1/20 0.32
KDR P35968 1/20 0.30

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
SCHEMBL6946075 0.92 CYP3A4 (0.41) ALDH1A1RENCYP3A4
SCHEMBL6943259 0.78 REN (0.43) REN
SCHEMBL6941098 0.77 ALDH1A1 (0.38) ALDH1A1KDM4ETDP1
SCHEMBL6941120 0.76 PPARA (0.39) ALDH1A1KDM4ETDP1REN
SCHEMBL6944108 0.76 BIRC5 (0.39) REN
SCHEMBL6943661 0.75 LMNA (0.47) ALDH1A1KDM4EPOLBTDP1REN
SCHEMBL6947261 0.73 PPARA (0.36) REN
SCHEMBL3370555 0.72 PLK1 (0.53) ALDH1A1KDM4EPOLBTDP1L3MBTL1
SCHEMBL6948686 0.72 CNR2 (0.38) REN
SCHEMBL6945137 0.70 BIRC5 (0.42) KDM4EMTNR1A

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