SCHEMBL6946075

SCHEMBL6946075

COCCCOc1cc(CCCCCCC(C(=O)O)(C(C)C)C(C)C)cc2c1OCO2

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 4/20 0.41
ALDH1A1 P00352 2/20 0.41
ABCB1 P08183 6/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
REN P00797 2/20 0.35
ACHE P22303 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
HPGD P15428 1/20 0.33
ALKBH5 Q6P6C2 1/20 0.32
CYP2D6 P10635 1/20 0.32

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
SCHEMBL6944825 0.92 ALDH1A1 (0.35) CYP3A4ALDH1A1REN
SCHEMBL6943259 0.78 REN (0.43) REN
SCHEMBL6941098 0.77 ALDH1A1 (0.38) ALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL6944108 0.76 BIRC5 (0.39) REN
SCHEMBL6941120 0.76 PPARA (0.39) ALDH1A1SMN1; SMN2RENMEN1KMT2A
SCHEMBL6948686 0.74 CNR2 (0.38) RENHPGD
SCHEMBL6947261 0.73 PPARA (0.36) REN
SCHEMBL6943661 0.73 LMNA (0.47) ALDH1A1REN
SCHEMBL6946553 0.72 PPARA (0.43) REN
SCHEMBL6945137 0.70 BIRC5 (0.42) KMT2A

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