SCHEMBL6943818

SCHEMBL6943818

COCCCOc1cc(CCCCCCC(C(=O)NCC(=O)NN2CCOCC2)(C(C)C)C(C)C)ccc1OC

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
REN P00797 10/20 0.43
KMT2A Q03164 3/20 0.40
MEN1 O00255 1/20 0.39
HTT P42858 1/20 0.38
PDE4B Q07343 1/20 0.38
HDAC3 O15379 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
CYP3A4 P08684 1/20 0.38
TDP1 Q9NUW8 1/20 0.38

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 SCHEMBL6947174 0.99 REN (0.44) RENKMT2AMEN1HTTPDE4B
SCHEMBL6943839 0.86 REN (0.44) RENKMT2AMEN1HTT
SCHEMBL6943202 0.86 REN (0.55) REN
Hydrochloric Acid SCHEMBL6940853 0.86 REN (0.45) RENKMT2AMEN1
Hydrochloric Acid SCHEMBL6942968 0.85 REN (0.56) REN
Hydrochloric Acid SCHEMBL6947328 0.85 REN (0.57) RENTDP1
SCHEMBL6940726 0.85 REN (0.52) RENKMT2AMEN1HTTPDE4B
Hydrochloric Acid SCHEMBL6938981 0.84 REN (0.53) RENKMT2AMEN1HTT
SCHEMBL6943317 0.82 REN (0.56) RENKMT2AMEN1HTTTDP1
SCHEMBL6944413 0.80 REN (0.48) RENKMT2A

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 2 patents. 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 claimed
WO-2003103653-A1 METHODS OF TREATING ALZHEIMER'S DISEASE USING ARYL ALKANOIC ACID AMIDES ELAN PHARMACEUTICALS, INC. (US) 2003-12-18 WO disclosed