SCHEMBL6943202

SCHEMBL6943202

COCCCOc1cc(CCCCCCC(C(=O)NCCN2CCOCC2)(C(C)C)C(C)C)ccc1OC

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
REN P00797 14/20 0.55
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
KDM4E B2RXH2 2/20 0.47
ALDH1A1 P00352 2/20 0.47
GLA P06280 1/20 0.47
MAPT P10636 1/20 0.47
HPGD P15428 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.45
TSHR P16473 2/20 0.44
LMNA P02545 1/20 0.44
SLC5A7 Q9GZV3 1/20 0.43

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
Hydrochloric Acid SCHEMBL6942968 0.99 REN (0.56) RENCYP2D6CYP2C9KDM4EALDH1A1
Hydrochloric Acid SCHEMBL6947328 0.96 REN (0.57) RENCYP2D6CYP2C9KDM4EALDH1A1
SCHEMBL6944413 0.94 REN (0.48) RENCYP2D6CYP2C9KDM4EALDH1A1
Hydrochloric Acid SCHEMBL6947816 0.93 REN (0.49) RENCYP2D6CYP2C9KDM4EALDH1A1
SCHEMBL6940757 0.91 REN (0.56) RENCYP2D6CYP2C9KDM4EALDH1A1
SCHEMBL6944136 0.91 REN (0.55) REN
Hydrochloric Acid SCHEMBL6944173 0.90 REN (0.56) REN
SCHEMBL6940726 0.89 REN (0.52) RENKDM4EALDH1A1GLAHPGD
Hydrochloric Acid SCHEMBL6938981 0.88 REN (0.53) RENKDM4EALDH1A1GLAHPGD
SCHEMBL6943317 0.88 REN (0.56) RENCYP2D6CYP2C9KDM4EALDH1A1

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