SCHEMBL7562020

SCHEMBL7562020

COc1cc(COC2CC(c3ccc(OCC/C=C/c4ccccc4)cc3)CCN2C(=O)O)c(OC)c2ccccc12

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
REN P00797 3/20 0.41
SSTR5 P35346 3/20 0.37
ALDH1A1 P00352 4/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
PPARD Q03181 1/20 0.34
PPARA Q07869 1/20 0.34
ACKR3 P25106 1/20 0.34
PTGS2 P35354 1/20 0.34
MAPT P10636 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33
MAPK1 P28482 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
HTT P42858 1/20 0.32
TAAR1 Q96RJ0 1/20 0.32
S1PR1 P21453 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
SCHEMBL7562027 1.00 REN (0.41) RENSSTR5ALDH1A1SMN1; SMN2PPARD
SCHEMBL7562024 0.82 REN (0.39) RENSSTR5ALDH1A1SMN1; SMN2PPARD
SCHEMBL6043888 0.81 REN (0.49) RENSSTR5ALDH1A1SMN1; SMN2PPARD
SCHEMBL6043894 0.81 REN (0.49) RENSSTR5ALDH1A1SMN1; SMN2PPARD
SCHEMBL7076705 0.76 REN (0.46) RENSSTR5ALDH1A1SMN1; SMN2PPARD
SCHEMBL6043325 0.75 REN (0.71) REN
SCHEMBL6043333 0.75 REN (0.71) REN
SCHEMBL6042526 0.73 REN (0.47) RENSSTR5ALDH1A1SMN1; SMN2ACKR3
SCHEMBL8183012 0.73 REN (0.47) RENSSTR5ALDH1A1SMN1; SMN2ACKR3
SCHEMBL6043793 0.69 REN (0.56) RENSSTR5KMT2A

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-2002076440-A2 METHODS OF TREATING ALZHEIMER'S DISEASE WITH PIPERIDIN DERIVATES ELAN PHARMACEUTICALS, INC. (US) 2002-10-03 WO disclosed